Output file : 1L2Y_REMD.out_GB000
Sidechain potential file :
- /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga
- p8g-sc
+ /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1
+ 0-8k
SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm
Electrostatic potential file :
/users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm
********************************************************************************
### LAST MODIFIED 03/28/12 23:29 by czarek
++++ Compile info ++++
- 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 = -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 ...
- 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...
+ Version 3.1 build 0
+ Compiled Wed Nov 20 08:38:19 EST 2013
+ Compiled by pk376@matrix.chem.cornell.edu
+ OS name: Linux
+ OS release: Linux-2.6.34.9-69.fc13.x86_64
+ Fortran Compiler: /opt/intel/Compiler/11.1/046/bin
+ /intel64/ifort
+ MD Force field: GAB
+ CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN
+ G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX
+ -DPGI -DMP -DMPI
++++ End of compile info ++++
Potential is GB , exponents are 6 12
11.0000000000000 AKCT 12.0000000000000
V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
13.7000000000000
- EBR -5.50000000000000
+ EBR -5.50000000000000 SS_DEPTH -7.39571661678271
+ HT 0.000000000000000E+000
PDB data will be read from file ../../../../1L2Y.pdb
Nres: 21
Backbone and SC coordinates as read from the PDB
12 PRO 20 LEU 3
13 PRO 20 TYR 4
14 PRO 20 TRP 7
- j 2 k 3
+dist.constr 1 2 3 3.88 3.70E-02
- j 2 k 4
+dist.constr 2 2 4 5.58 2.68E-02
- j 2 k 5
+dist.constr 3 2 5 5.04 3.01E-02
- j 2 k 6
+dist.constr 4 2 6 6.32 2.25E-02
- j 2 k 7
+dist.constr 5 2 7 8.77 1.07E-02
- j 2 k 8
+dist.constr 6 2 8 9.91 7.02E-03
- j 2 k 9
+dist.constr 7 2 9 10.61 5.25E-03
- j 2 k 10
+dist.constr 8 2 10 12.89 1.80E-03
- j 3 k 4
+dist.constr 9 3 4 3.86 3.71E-02
- j 3 k 5
+dist.constr 10 3 5 5.48 2.74E-02
- j 3 k 6
+dist.constr 11 3 6 5.24 2.89E-02
- j 3 k 7
+dist.constr 12 3 7 6.43 2.19E-02
- j 3 k 8
+dist.constr 13 3 8 8.85 1.04E-02
- j 3 k 9
+dist.constr 14 3 9 10.21 6.21E-03
- j 3 k 10
+dist.constr 15 3 10 11.39 3.74E-03
- j 4 k 5
+dist.constr 16 4 5 3.87 3.70E-02
- j 4 k 6
+dist.constr 17 4 6 5.41 2.78E-02
- j 4 k 7
+dist.constr 18 4 7 4.91 3.09E-02
- j 4 k 8
+dist.constr 19 4 8 6.11 2.37E-02
- j 4 k 9
+dist.constr 20 4 9 8.65 1.12E-02
- j 4 k 10
+dist.constr 21 4 10 10.11 6.47E-03
- j 5 k 6
+dist.constr 22 5 6 3.85 3.72E-02
- j 5 k 7
+dist.constr 23 5 7 5.39 2.80E-02
- j 5 k 8
+dist.constr 24 5 8 5.08 2.99E-02
- j 5 k 9
+dist.constr 25 5 9 6.11 2.37E-02
- j 5 k 10
+dist.constr 26 5 10 8.79 1.07E-02
- j 6 k 7
+dist.constr 27 6 7 3.87 3.71E-02
- j 6 k 8
+dist.constr 28 6 8 5.61 2.67E-02
- j 6 k 9
+dist.constr 29 6 9 5.36 2.82E-02
- j 6 k 10
+dist.constr 30 6 10 6.73 2.02E-02
- j 7 k 8
+dist.constr 31 7 8 3.86 3.71E-02
- j 7 k 9
+dist.constr 32 7 9 5.70 2.61E-02
- j 7 k 10
+dist.constr 33 7 10 5.59 2.68E-02
- j 8 k 9
+dist.constr 34 8 9 3.88 3.70E-02
- j 8 k 10
+dist.constr 35 8 10 5.38 2.80E-02
- j 9 k 10
+dist.constr 36 9 10 3.86 3.71E-02
+dist.constr 1 2 3 3.88 0.00 0 0.0
+dist.constr 2 2 4 5.58 0.00 0 0.0
Calling chainbuild
Calling REMD
- MREMD 16 time before 1.171875000000000E-002
+ MREMD 8 time before 4.296875000000000E-002
NREP= 16
- i2rep 1 2 3 4 5 6 7 8 9 10
- 11 12 13 14 15 16
- i2set 1 1 1 1 1 1 1 1 1 1
- 1 1 1 1 1 1
+ i2rep 1 2 3 4 5 6 7 8
+ i2set 1 1 1 1 1 1 1 1
i,j,il,il1,i_index(i,j,il,il1)
ifirst 1
nupa 1: 2
ndowna 7: 6
nupa 8: 9
ndowna 8: 7
- nupa 9: 10
-ndowna 9: 8
- nupa 10: 11
-ndowna 10: 9
- nupa 11: 12
-ndowna 11: 10
- nupa 12: 13
-ndowna 12: 11
- nupa 13: 14
-ndowna 13: 12
- nupa 14: 15
-ndowna 14: 13
- nupa 15: 16
-ndowna 15: 14
- nupa 16:
-ndowna 16: 15
REMD Temperature: 250.00000
====================MD calculation start====================
Initial velocities randomly generated
22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Calling the zero-angular momentum subroutine
vcm right after adjustment:
- 2.021371575869251E-017 -1.735521049988750E-018 1.041312629993250E-017
+ 8.371336829357502E-018 1.827401576164626E-017 1.510924208225500E-017
alpha-carbon coordinates centroid coordinates
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
+GLY 11 3.891 89.908 56.679 0.000 0.000 180.000
+GLY 12 3.864 100.181 -87.304 0.000 0.000 180.000
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
+GLY 16 3.866 101.784 70.140 0.000 0.000 180.000
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
+D 22 3.858 114.201 180.000 0.000 0.000 180.000
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= 8.010569D-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= 2.223965D+00 (torsional)
-ETORSD= 1.006444E+00 WEIGHT= 1.930120D+00 (double torsional)
-EHPB= 2.258117E-31 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.528803E+01 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)
-EELLO= -4.012900E+00 WEIGHT= 1.970561D-01 (electrostatic-local)
-ETURN3= 1.829789E+01 WEIGHT= 2.073316D+00 (turns, 3rd order)
-ETURN4= 6.580750E-01 WEIGHT= 8.760064D-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)
+EVDW= -1.644012E+01 WEIGHT= 1.352790E+00 (SC-SC)
+EVDW2= 4.471415E+01 WEIGHT= 1.593040E+00 (SC-p)
+EES= -9.165378E+01 WEIGHT= 8.010569E-01 (p-p)
+EVDWPP= -3.362882E+01 WEIGHT= 1.137100E-01 (p-p VDW)
+ESTR= 6.750243E+02 WEIGHT= 1.000000E+00 (stretching)
+EBE= -3.261471E+01 WEIGHT= 1.138730E+00 (bending)
+ESC= 5.789477E+01 WEIGHT= 1.625800E-01 (SC local)
+ETORS= 1.479510E+01 WEIGHT= 2.223965E+00 (torsional)
+ETORSD= 1.006444E+00 WEIGHT= 1.930120E+00 (double torsional)
+EHPB= 2.258117E-31 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4= -6.528803E+01 WEIGHT= 5.672548E-01 (multi-body)
+ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body)
+ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body)
+EELLO= -4.012900E+00 WEIGHT= 1.970561E-01 (electrostatic-local)
+ETURN3= 1.829789E+01 WEIGHT= 2.073316E+00 (turns, 3rd order)
+ETURN4= 6.580750E-01 WEIGHT= 8.760064E-01 (turns, 4th order)
+ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order)
+ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+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= 6.568593E+02 (total)
+ETOT= 6.545795E+02 (total)
Initial:
Kinetic energy 2.56370E+01
- potential energy 6.56859E+02
- total energy 6.82496E+02
+ potential energy 6.54580E+02
+ total energy 6.80217E+02
- maximum acceleration 8.66515E+00
+ maximum acceleration 8.71538E+00
- Setup time 1.562500000000000E-002
- acceleration/energy drift too large 2.45063868111105
- 30.2648668372355 split increased to 2 itime 1
+ Setup time 5.859375000000000E-002
+ acceleration/energy drift too large 2.44708857815770
+ 30.1912304228746 split increased to 2 itime 1
itsplit 1
- acceleration/energy drift too large 3.55123086946814
- 23.1893572991053 split increased to 2 itime 2
+ acceleration/energy drift too large 3.55829513714096
+ 23.2461394362942 split increased to 2 itime 2
itsplit 1
- acceleration/energy drift too large 2.68873026783936
- 16.4661189396637 split increased to 2 itime 4
+ acceleration/energy drift too large 2.65774258568913
+ 16.5009129904792 split increased to 2 itime 4
itsplit 1
- acceleration/energy drift too large 4.36238477567221
- 20.2653490183299 split increased to 2 itime 5
+ acceleration/energy drift too large 4.34510624939898
+ 18.6705564669701 split increased to 2 itime 5
itsplit 1
- acceleration/energy drift too large 4.44786409431292
- 12.4814953131462 split increased to 2 itime 6
+ acceleration/energy drift too large 4.50249689000021
+ 13.0740450075992 split increased to 2 itime 6
itsplit 1
- acceleration/energy drift too large 1.45929231910999
- 11.9792186726349 split increased to 2 itime 7
+ acceleration/energy drift too large 1.44293950492568
+ 11.4705208120200 split increased to 2 itime 7
itsplit 1
- acceleration/energy drift too large 4.78653363667580
- 35.1543337895096 split increased to 2 itime 35
+ acceleration/energy drift too large 4.48594953096872
+ 14.2161825465422 split increased to 2 itime 36
itsplit 1
- acceleration/energy drift too large 3.50012196420486
- 12.4741865317294 split increased to 2 itime 124
+ acceleration/energy drift too large 6.33798283742537
+ 20.3212891061017 split increased to 2 itime 116
itsplit 1
- acceleration/energy drift too large 9.06108385774411
- 25.6307973455144 split increased to 2 itime 2598
+ acceleration/energy drift too large 6.18957440707244
+ 12.1228122444720 split increased to 2 itime 235
itsplit 1
- acceleration/energy drift too large 6.60515630890159
- 14.9369548564452 split increased to 2 itime 4487
+ acceleration/energy drift too large 4.21742653239939
+ 17.1236256413294 split increased to 2 itime 400
itsplit 1
- acceleration/energy drift too large 5.38055900978436
- 10.4195089905054 split increased to 2 itime 5834
+ acceleration/energy drift too large 3.14588272364161
+ 11.3107676970844 split increased to 2 itime 552
itsplit 1
- acceleration/energy drift too large 9.43465470992012
- 33.6963124964030 split increased to 2 itime 5884
+ acceleration/energy drift too large 9.63558103637924
+ 41.9443446559597 split increased to 2 itime 5738
itsplit 1
- acceleration/energy drift too large 2.07073606807758
- 11.7590736205423 split increased to 2 itime 5885
+ acceleration/energy drift too large 10.5504022707688
+ 50.2322532198275 split increased to 2 itime 6660
itsplit 1
- acceleration/energy drift too large 5.28720460296316
- 12.2922645582407 split increased to 2 itime 5982
- itsplit 1
- acceleration/energy drift too large 8.48328247712591
- 25.3495458139208 split increased to 2 itime 7356
- itsplit 1
- acceleration/energy drift too large 1.95483193831186
- 14.0322567882780 split increased to 2 itime 8168
- itsplit 1
- acceleration/energy drift too large 8.63157648015814
- 33.0046843882556 split increased to 2 itime 8458
- itsplit 1
- acceleration/energy drift too large 2.90119145151716
- 16.7487001590735 split increased to 2 itime 9138
+ acceleration/energy drift too large 3.82382082526906
+ 27.0884237402908 split increased to 2 itime 9602
itsplit 1
Velocities reset to random values, time 1999.80
- acceleration/energy drift too large 6.58197301052028
- 21.1744779154869 split increased to 2 itime 12352
+ acceleration/energy drift too large 4.54847151708510
+ 10.9140334863633 split increased to 2 itime 11249
+ itsplit 1
+ acceleration/energy drift too large 6.72494663058398
+ 22.3206620775385 split increased to 2 itime 12355
itsplit 1
- acceleration/energy drift too large 4.29237499274694
- 12.0987383192629 split increased to 2 itime 12654
+ acceleration/energy drift too large 2.25954932873589
+ 12.0215185462541 split increased to 2 itime 12525
itsplit 1
- acceleration/energy drift too large 4.54118346403319
- 10.0596872771203 split increased to 2 itime 14754
+ acceleration/energy drift too large 6.49086497219003
+ 16.5347353186463 split increased to 2 itime 14556
itsplit 1
- acceleration/energy drift too large 2.76981396010583
- 19.1030491890046 split increased to 2 itime 16759
+ acceleration/energy drift too large 4.32948809534502
+ 12.9678891905952 split increased to 2 itime 14832
itsplit 1
- acceleration/energy drift too large 9.26054798480306
- 35.8965348642423 split increased to 2 itime 17217
+ acceleration/energy drift too large 5.24740141641849
+ 18.9125059987541 split increased to 2 itime 18384
itsplit 1
- acceleration/energy drift too large 6.78140644853100
- 20.5180580916291 split increased to 2 itime 19191
+ acceleration/energy drift too large 6.74212973601644
+ 19.8753007701588 split increased to 2 itime 18571
itsplit 1
Velocities reset to random values, time 3999.80
- acceleration/energy drift too large 6.51928331143534
- 13.1196487697521 split increased to 2 itime 20127
+ acceleration/energy drift too large 5.76949388513131
+ 19.7415183961801 split increased to 2 itime 23760
itsplit 1
- acceleration/energy drift too large 4.14666449802368
- 11.4147726951848 split increased to 2 itime 23140
+ acceleration/energy drift too large 5.10355257526089
+ 15.6163165016633 split increased to 2 itime 24527
itsplit 1
- acceleration/energy drift too large 6.34224382667582
- 15.8066625395075 split increased to 2 itime 25255
+ acceleration/energy drift too large 5.95375242025213
+ 13.5562064772233 split increased to 2 itime 25885
itsplit 1
- acceleration/energy drift too large 5.55686756155190
- 11.0570660474378 split increased to 2 itime 28027
+ acceleration/energy drift too large 4.60563330535653
+ 12.9869190335648 split increased to 2 itime 29104
itsplit 1
Velocities reset to random values, time 5999.80
- acceleration/energy drift too large 4.55831049917581
- 13.7891175233971 split increased to 2 itime 30473
+ acceleration/energy drift too large 4.31501916182351
+ 12.0925997776692 split increased to 2 itime 30807
itsplit 1
- acceleration/energy drift too large 3.26682406678188
- 25.8880588807659 split increased to 2 itime 31420
+ acceleration/energy drift too large 4.44841474022670
+ 13.7406595338636 split increased to 2 itime 32293
itsplit 1
- acceleration/energy drift too large 5.10782334488223
- 18.1980839007848 split increased to 2 itime 34647
+ acceleration/energy drift too large 6.22161243683618
+ 26.4917762073149 split increased to 2 itime 34421
itsplit 1
- acceleration/energy drift too large 9.45122150525096
- 43.2908359649247 split increased to 2 itime 34698
+ acceleration/energy drift too large 4.74802965128211
+ 15.6784351726067 split increased to 2 itime 35442
itsplit 1
- acceleration/energy drift too large 3.18166793613259
- 10.4178018095776 split increased to 2 itime 36028
+ acceleration/energy drift too large 2.50055411809802
+ 11.7019340359577 split increased to 2 itime 35702
itsplit 1
-Velocities reset to random values, time 7999.80
- acceleration/energy drift too large 2.85884065291560
- 10.8818130470378 split increased to 2 itime 45605
+ acceleration/energy drift too large 2.53031859291655
+ 12.3404663815627 split increased to 2 itime 37816
itsplit 1
- acceleration/energy drift too large 1.86835468064674
- 10.8073106206949 split increased to 2 itime 45937
+ acceleration/energy drift too large 9.82085647451978
+ 39.9247723905663 split increased to 2 itime 38088
itsplit 1
- acceleration/energy drift too large 3.98610152003410
- 12.9623685573306 split increased to 2 itime 46042
+ acceleration/energy drift too large 6.67888745942562
+ 19.8448911970909 split increased to 2 itime 38632
itsplit 1
- acceleration/energy drift too large 1.98201378363214
- 10.2041786376280 split increased to 2 itime 46077
+Velocities reset to random values, time 7999.80
+ acceleration/energy drift too large 2.76026156444874
+ 16.2099146456544 split increased to 2 itime 41882
itsplit 1
- acceleration/energy drift too large 12.0305769701626
- 51.0795556873231 split increased to 2 itime 46301
+ acceleration/energy drift too large 6.94273875483682
+ 25.5011378904418 split increased to 2 itime 42398
itsplit 1
- acceleration/energy drift too large 4.52443741463104
- 11.0156407799634 split increased to 2 itime 48016
+ acceleration/energy drift too large 7.83564823117075
+ 26.6692948939859 split increased to 2 itime 45733
itsplit 1
-Velocities reset to random values, time 9999.80
- acceleration/energy drift too large 8.46591652181341
- 41.2980950567876 split increased to 2 itime 50383
+ acceleration/energy drift too large 0.782434930224240
+ 18.7344740460716 split increased to 2 itime 45734
itsplit 1
- acceleration/energy drift too large 5.16603909443402
- 18.1107035658906 split increased to 2 itime 53458
+ acceleration/energy drift too large 8.56088387720293
+ 20.2607690557672 split increased to 2 itime 46225
itsplit 1
- acceleration/energy drift too large 4.16513916994781
- 10.9950579237936 split increased to 2 itime 54993
+ acceleration/energy drift too large 5.80269659338868
+ 23.2437094879834 split increased to 2 itime 49131
itsplit 1
- acceleration/energy drift too large 1.17191836603789
- 11.3841292078986 split increased to 2 itime 54994
+Velocities reset to random values, time 9999.80
+ acceleration/energy drift too large 8.77686307018883
+ 37.4402312204916 split increased to 2 itime 53866
itsplit 1
- acceleration/energy drift too large 6.53208644347302
- 10.0831139576686 split increased to 2 itime 57275
+ acceleration/energy drift too large 2.81519151429299
+ 15.2803378751927 split increased to 2 itime 55774
itsplit 1
- acceleration/energy drift too large 6.38908095141739
- 14.5965965531466 split increased to 2 itime 57276
+ acceleration/energy drift too large 8.46452367604851
+ 25.8365274449585 split increased to 2 itime 56397
itsplit 1
- acceleration/energy drift too large 2.02710834549718
- 10.6960901510766 split increased to 2 itime 59385
+ acceleration/energy drift too large 1.34491596843367
+ 10.2775389787093 split increased to 2 itime 59270
itsplit 1
- acceleration/energy drift too large 4.01051594321700
- 12.7233567378278 split increased to 2 itime 59632
+ acceleration/energy drift too large 7.75226500760741
+ 38.2131723793801 split increased to 2 itime 59356
itsplit 1
- acceleration/energy drift too large 6.41506995709036
- 14.3079348463333 split increased to 2 itime 59910
+ acceleration/energy drift too large 1.48971756059855
+ 13.5201920442618 split increased to 2 itime 59605
itsplit 1
Velocities reset to random values, time 11999.80
- acceleration/energy drift too large 3.16467940373217
- 23.7016400391990 split increased to 2 itime 61862
- itsplit 1
- acceleration/energy drift too large 3.72648774559847
- 12.1806580792817 split increased to 2 itime 63094
+ acceleration/energy drift too large 8.57363005798018
+ 41.2456364199987 split increased to 2 itime 60248
itsplit 1
- acceleration/energy drift too large 4.91806822648186
- 30.9786200495719 split increased to 2 itime 64693
+ acceleration/energy drift too large 11.9986965407491
+ 65.8497755775950 split increased to 2 itime 61110
itsplit 1
- acceleration/energy drift too large 4.29281446835094
- 12.1444339107584 split increased to 2 itime 66730
+ acceleration/energy drift too large 2.60588490269759
+ 12.3019935974237 split increased to 4 itime 61110
itsplit 1
- acceleration/energy drift too large 4.61989520889989
- 12.9095583930367 split increased to 2 itime 67488
+ acceleration/energy drift too large 5.98059840032270
+ 13.0494829491822 split increased to 2 itime 61849
itsplit 1
- acceleration/energy drift too large 5.43649744666214
- 13.9249448835651 split increased to 2 itime 67934
+ acceleration/energy drift too large 7.02312220095992
+ 22.4426638230210 split increased to 2 itime 63719
itsplit 1
- acceleration/energy drift too large 4.27727867757810
- 12.9808256592005 split increased to 2 itime 68568
+ acceleration/energy drift too large 11.1061861414366
+ 53.4961183519864 split increased to 2 itime 67834
itsplit 1
- acceleration/energy drift too large 5.11438833240189
- 19.8322614855305 split increased to 2 itime 68609
- itsplit 1
- acceleration/energy drift too large 4.17490161604549
- 13.8606837764868 split increased to 2 itime 69264
- itsplit 1
- acceleration/energy drift too large 3.83724460451895
- 15.4115668727246 split increased to 2 itime 69940
+ acceleration/energy drift too large 5.16826604634637
+ 14.4482833749314 split increased to 2 itime 68614
itsplit 1
Velocities reset to random values, time 13999.80
- acceleration/energy drift too large 4.01685434054205
- 10.8069464783478 split increased to 2 itime 71105
- itsplit 1
- acceleration/energy drift too large 13.0626679391747
- 87.9388227824471 split increased to 2 itime 71910
- itsplit 1
- acceleration/energy drift too large 7.20000328983353
- 18.1178033475454 split increased to 2 itime 71988
- itsplit 1
- acceleration/energy drift too large 6.04958400342580
- 14.9219321071401 split increased to 2 itime 72341
+ acceleration/energy drift too large 4.99923567700219
+ 22.5200157068799 split increased to 2 itime 71472
itsplit 1
- acceleration/energy drift too large 4.45889454571717
- 15.5432456970247 split increased to 2 itime 74578
+ acceleration/energy drift too large 7.94492371107991
+ 20.0643680847791 split increased to 2 itime 71591
itsplit 1
- acceleration/energy drift too large 5.94353008726795
- 19.5767458089862 split increased to 2 itime 75898
- itsplit 1
- acceleration/energy drift too large 1.41468466336670
- 11.8115584305727 split increased to 2 itime 75899
- itsplit 1
- acceleration/energy drift too large 5.43126051257083
- 11.4467820493096 split increased to 2 itime 76681
- itsplit 1
- acceleration/energy drift too large 1.30412019682234
- 10.3877710905946 split increased to 2 itime 77800
+ acceleration/energy drift too large 9.82200886690138
+ 49.1768178857061 split increased to 2 itime 73467
itsplit 1
Velocities reset to random values, time 15999.80
- acceleration/energy drift too large 5.92067317044391
- 12.1554434047725 split increased to 2 itime 83484
- itsplit 1
- acceleration/energy drift too large 5.21686771258510
- 15.1491984626158 split increased to 2 itime 85810
+ acceleration/energy drift too large 7.79123393914190
+ 28.7455179074731 split increased to 2 itime 80563
itsplit 1
- acceleration/energy drift too large 7.31880749879907
- 18.6681818294367 split increased to 2 itime 86296
+ acceleration/energy drift too large 5.82844167270155
+ 14.3639158488063 split increased to 2 itime 82012
itsplit 1
- acceleration/energy drift too large 4.18607940482989
- 36.7218017523689 split increased to 2 itime 86458
+ acceleration/energy drift too large 8.83171278828639
+ 41.1693620449344 split increased to 2 itime 83287
itsplit 1
- acceleration/energy drift too large 8.90713651382507
- 18.3163329571860 split increased to 2 itime 87179
+ acceleration/energy drift too large 2.37555843200184
+ 11.8847061630356 split increased to 2 itime 83288
itsplit 1
- acceleration/energy drift too large 2.14154289965140
- 10.3495300742453 split increased to 2 itime 87883
- itsplit 1
- acceleration/energy drift too large 2.22235027611116
- 10.0797282196810 split increased to 2 itime 87967
- itsplit 1
- acceleration/energy drift too large 4.06618995085872
- 10.2556647232415 split increased to 2 itime 87993
- itsplit 1
- acceleration/energy drift too large 5.46533217080122
- 18.9519545819862 split increased to 2 itime 88083
- itsplit 1
- acceleration/energy drift too large 4.35661767079769
- 13.6485379177394 split increased to 2 itime 88147
- itsplit 1
- acceleration/energy drift too large 3.05413513905650
- 14.7150513609441 split increased to 2 itime 88148
- itsplit 1
- acceleration/energy drift too large 5.29165936196420
- 15.6845738230786 split increased to 2 itime 88162
+ acceleration/energy drift too large 4.43440510987553
+ 13.7685954131646 split increased to 2 itime 88198
itsplit 1
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 4.88217813914722
- 19.0387637529673 split increased to 2 itime 94245
- itsplit 1
- acceleration/energy drift too large 7.45369542446815
- 21.9222798621868 split increased to 2 itime 95027
- itsplit 1
- acceleration/energy drift too large 1.95297502238896
- 11.0934339190289 split increased to 2 itime 95028
+ acceleration/energy drift too large 4.01414736808228
+ 11.3795504606819 split increased to 2 itime 91021
itsplit 1
- acceleration/energy drift too large 5.98703166235174
- 20.2657581349062 split increased to 2 itime 96444
+ acceleration/energy drift too large 9.61081890915478
+ 47.2769703317649 split increased to 2 itime 92691
itsplit 1
- acceleration/energy drift too large 8.48444340493494
- 35.6188308867794 split increased to 2 itime 97012
+ acceleration/energy drift too large 4.04035058721866
+ 10.7202224654412 split increased to 2 itime 97876
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 41.3242187500000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
+ REMD gather times= 35.8203125000000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
REMD writing traj time= 0.000000000000000E+000
NREP 16
ACC 1 250.00000 0.00000 1
-ACC 2 260.00000 0.00000 1
-ACC 3 270.00000 1.00000 1
+ACC 2 260.00000 1.00000 1
+ACC 3 270.00000 0.00000 1
ACC 4 280.00000 1.00000 1
ACC 5 290.00000 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 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 5.93513861650592
- 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 6.85096607318400
- 16.1916115655967 split increased to 2 itime 101607
- itsplit 1
- acceleration/energy drift too large 4.00665737220926
- 10.4724172143073 split increased to 2 itime 102032
- itsplit 1
- acceleration/energy drift too large 14.5894834372748
- 86.3816252343415 split increased to 2 itime 103865
- itsplit 1
- acceleration/energy drift too large 10.2762851503161
- 41.9569320621232 split increased to 2 itime 104075
- itsplit 1
- 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
+ acceleration/energy drift too large 4.89252535407067
+ 16.1651653527217 split increased to 2 itime 101715
itsplit 1
- acceleration/energy drift too large 6.27497541749042
- 29.5466499150606 split increased to 2 itime 109370
+ acceleration/energy drift too large 7.71511334844823
+ 14.5538747056148 split increased to 2 itime 102404
itsplit 1
- acceleration/energy drift too large 10.9288674887910
- 59.2983868505591 split increased to 2 itime 109974
+ acceleration/energy drift too large 5.37367019338214
+ 14.3609639633479 split increased to 2 itime 105360
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 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 6.00017138967663
- 21.2149693982569 split increased to 2 itime 114147
+ acceleration/energy drift too large 5.70996601589260
+ 16.0961868543362 split increased to 2 itime 110838
itsplit 1
- acceleration/energy drift too large 2.83424196424195
- 14.9154243170554 split increased to 2 itime 114509
+ acceleration/energy drift too large 6.60417952464575
+ 24.0284026625876 split increased to 2 itime 111846
itsplit 1
- acceleration/energy drift too large 5.39887429826091
- 11.1762309159555 split increased to 2 itime 115668
+ acceleration/energy drift too large 4.69014229442755
+ 18.3589866204330 split increased to 2 itime 113384
itsplit 1
- acceleration/energy drift too large 8.59665291109067
- 25.9403058332849 split increased to 2 itime 116009
+ acceleration/energy drift too large 7.71786768768469
+ 24.2646950558041 split increased to 2 itime 113458
itsplit 1
- acceleration/energy drift too large 6.17572227741080
- 25.4229300857791 split increased to 2 itime 116339
+ acceleration/energy drift too large 5.40900875753518
+ 11.1070194981679 split increased to 2 itime 118569
itsplit 1
- acceleration/energy drift too large 6.38082623100020
- 24.0244138542674 split increased to 2 itime 116673
- itsplit 1
- 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
+ acceleration/energy drift too large 5.62680815506241
+ 12.1162345082475 split increased to 2 itime 119633
itsplit 1
Velocities reset to random values, time 23999.80
- acceleration/energy drift too large 11.0010705884253
- 46.5779190582905 split increased to 2 itime 120512
+ acceleration/energy drift too large 3.26009596489821
+ 16.0629568742864 split increased to 2 itime 125211
itsplit 1
- acceleration/energy drift too large 2.34923675270493
- 10.9180234866370 split increased to 4 itime 120512
+ acceleration/energy drift too large 6.80060350055030
+ 16.6785546562647 split increased to 2 itime 127479
itsplit 1
- acceleration/energy drift too large 7.04039121924300
- 17.4258150115111 split increased to 2 itime 122316
+ acceleration/energy drift too large 4.91600791108303
+ 14.8566238299350 split increased to 2 itime 127638
itsplit 1
- acceleration/energy drift too large 5.84358182125819
- 12.7813766302032 split increased to 2 itime 125349
+ acceleration/energy drift too large 6.91451069124532
+ 21.8972932842505 split increased to 2 itime 128164
itsplit 1
- acceleration/energy drift too large 5.19424816312189
- 20.4866154686175 split increased to 2 itime 126456
+ acceleration/energy drift too large 4.92507006777148
+ 15.2436442865811 split increased to 2 itime 129227
itsplit 1
- acceleration/energy drift too large 4.35287088828554
- 14.2069493374309 split increased to 2 itime 128321
+ acceleration/energy drift too large 6.96484866334159
+ 18.9791603143607 split increased to 2 itime 129820
itsplit 1
Velocities reset to random values, time 25999.80
- acceleration/energy drift too large 5.25633533942894
- 15.0106742155530 split increased to 2 itime 130434
- itsplit 1
- acceleration/energy drift too large 6.42028889526217
- 14.4641310781880 split increased to 2 itime 130633
- itsplit 1
- acceleration/energy drift too large 6.65178379409921
- 13.7281121403279 split increased to 2 itime 131765
+ acceleration/energy drift too large 7.45056527751399
+ 15.8993402779271 split increased to 2 itime 131915
itsplit 1
- acceleration/energy drift too large 4.08022818983795
- 19.2277258434627 split increased to 2 itime 132882
+ acceleration/energy drift too large 9.27425899925672
+ 37.5216457604321 split increased to 2 itime 132219
itsplit 1
- acceleration/energy drift too large 11.3484812103328
- 38.4698220595935 split increased to 2 itime 134236
+ acceleration/energy drift too large 9.39184476074993
+ 40.5798472981761 split increased to 2 itime 132270
itsplit 1
- acceleration/energy drift too large 5.61667785063145
- 36.3992357739707 split increased to 2 itime 134747
- itsplit 1
- 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
+ acceleration/energy drift too large 8.44507074786582
+ 34.2621568441437 split increased to 2 itime 137662
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
+ acceleration/energy drift too large 8.36245564711165
+ 35.5844371880894 split increased to 2 itime 141293
+ itsplit 1
+ acceleration/energy drift too large 6.59096086687037
+ 19.1436493642670 split increased to 2 itime 141714
itsplit 1
- acceleration/energy drift too large 5.95782169053832
- 28.9657311437838 split increased to 2 itime 142748
+ acceleration/energy drift too large 9.09021364242806
+ 46.5960331038827 split increased to 2 itime 145799
itsplit 1
- acceleration/energy drift too large 5.33942237581445
- 16.0537144434226 split increased to 2 itime 145120
+ acceleration/energy drift too large 9.36874222012710
+ 25.0967123642648 split increased to 2 itime 146601
itsplit 1
- acceleration/energy drift too large 4.54326669871440
- 11.3018941500642 split increased to 2 itime 145121
+ acceleration/energy drift too large 6.01173806931324
+ 10.9884950783542 split increased to 2 itime 147939
itsplit 1
- acceleration/energy drift too large 3.34616009287506
- 11.7541504457757 split increased to 2 itime 145281
+ acceleration/energy drift too large 2.41971520206310
+ 11.3443466462981 split increased to 2 itime 149223
itsplit 1
Velocities reset to random values, time 29999.80
- acceleration/energy drift too large 6.43038530834879
- 12.5442460561467 split increased to 2 itime 151009
+ acceleration/energy drift too large 6.75957500116144
+ 33.4297167955104 split increased to 2 itime 154164
itsplit 1
- acceleration/energy drift too large 6.19973014860350
- 19.4112251401803 split increased to 2 itime 151972
+ acceleration/energy drift too large 7.82359617138981
+ 29.3664570733381 split increased to 2 itime 156294
itsplit 1
- acceleration/energy drift too large 6.33583528104485
- 15.3237929055735 split increased to 2 itime 152256
+ acceleration/energy drift too large 7.84961185108202
+ 30.5374479903733 split increased to 2 itime 158740
itsplit 1
- acceleration/energy drift too large 3.63929133923816
- 25.5958109542901 split increased to 2 itime 155054
+ acceleration/energy drift too large 1.18032490283914
+ 11.8937753473152 split increased to 2 itime 158741
itsplit 1
- acceleration/energy drift too large 8.87287164191711
- 26.6476373100856 split increased to 2 itime 159090
+ acceleration/energy drift too large 8.17564834243562
+ 20.6479243754346 split increased to 2 itime 158754
itsplit 1
Velocities reset to random values, time 31999.80
- acceleration/energy drift too large 6.43756754349056
- 12.4639955923611 split increased to 2 itime 160143
- itsplit 1
- acceleration/energy drift too large 8.54074061935143
- 38.8896467105338 split increased to 2 itime 161616
- itsplit 1
- acceleration/energy drift too large 4.15346706307488
- 12.9384953808585 split increased to 2 itime 162979
+ acceleration/energy drift too large 9.35215546729979
+ 40.8357339570788 split increased to 2 itime 160184
itsplit 1
- acceleration/energy drift too large 3.22507840657782
- 21.8696680239266 split increased to 2 itime 163693
+ acceleration/energy drift too large 4.56922707050231
+ 10.7608413316445 split increased to 2 itime 162213
itsplit 1
- acceleration/energy drift too large 11.3373818760639
- 61.3711293688740 split increased to 2 itime 164162
+ acceleration/energy drift too large 3.56151586327467
+ 10.3891869741882 split increased to 2 itime 164080
itsplit 1
- acceleration/energy drift too large 5.76667701443613
- 10.6053686606900 split increased to 2 itime 164748
+ acceleration/energy drift too large 5.15368972935594
+ 12.4281359253460 split increased to 2 itime 164588
itsplit 1
- acceleration/energy drift too large 9.15119565839555
- 38.3162835942076 split increased to 2 itime 166097
- itsplit 1
- acceleration/energy drift too large 6.92476812983487
- 21.6947704388162 split increased to 2 itime 166911
+ acceleration/energy drift too large 9.21359592076685
+ 33.2667358403823 split increased to 2 itime 165810
itsplit 1
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 13.6903024510036
- 71.2350598652297 split increased to 2 itime 170738
- itsplit 1
- acceleration/energy drift too large 1.98781785735850
- 14.6366954123303 split increased to 2 itime 170739
- itsplit 1
- acceleration/energy drift too large 4.71114892543482
- 13.3897481617229 split increased to 2 itime 173020
+ acceleration/energy drift too large 4.08672681103092
+ 11.5638686758799 split increased to 2 itime 171120
itsplit 1
- acceleration/energy drift too large 8.05126115324831
- 31.8173798908278 split increased to 2 itime 173065
+ acceleration/energy drift too large 3.93396405840229
+ 11.6084177058105 split increased to 2 itime 178084
itsplit 1
- acceleration/energy drift too large 2.48211251624321
- 23.8172756503275 split increased to 2 itime 173444
- itsplit 1
- acceleration/energy drift too large 6.56774922332209
- 12.8859889422153 split increased to 2 itime 174785
- itsplit 1
- acceleration/energy drift too large 4.70625978689595
- 10.3565054674371 split increased to 2 itime 175454
- itsplit 1
- acceleration/energy drift too large 7.68385958718392
- 24.6476599890223 split increased to 2 itime 176854
- itsplit 1
- 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
+ acceleration/energy drift too large 10.6963980055373
+ 70.2804200237435 split increased to 2 itime 179705
itsplit 1
Velocities reset to random values, time 35999.80
- 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
+ acceleration/energy drift too large 4.24945491006133
+ 10.4374398390279 split increased to 2 itime 180119
itsplit 1
- acceleration/energy drift too large 2.51649869688141
- 10.2604927296180 split increased to 4 itime 182770
+ acceleration/energy drift too large 5.58115471837639
+ 17.1786623604355 split increased to 2 itime 181962
itsplit 1
- acceleration/energy drift too large 2.38612819383852
- 13.2162310888593 split increased to 2 itime 183991
+ acceleration/energy drift too large 6.24721305713827
+ 20.3668632369702 split increased to 2 itime 185351
itsplit 1
- acceleration/energy drift too large 4.08298336909932
- 10.7926649011513 split increased to 2 itime 184556
+ acceleration/energy drift too large 4.79922694050550
+ 10.1870011980402 split increased to 2 itime 186901
itsplit 1
- acceleration/energy drift too large 2.43503234596461
- 12.9879309784479 split increased to 2 itime 185485
+ acceleration/energy drift too large 13.7478300021710
+ 91.0998550019934 split increased to 2 itime 188799
itsplit 1
- acceleration/energy drift too large 2.85236851200964
- 12.8960888455026 split increased to 2 itime 185664
+ acceleration/energy drift too large 4.00200927534877
+ 10.4357505583174 split increased to 2 itime 189129
itsplit 1
- acceleration/energy drift too large 4.11973854650120
- 12.7639093424629 split increased to 2 itime 188385
+ acceleration/energy drift too large 4.49904659741736
+ 14.4851554326298 split increased to 2 itime 189787
itsplit 1
- 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
+ acceleration/energy drift too large 2.63352653178519
+ 17.5153138741427 split increased to 2 itime 189926
itsplit 1
Velocities reset to random values, time 37999.80
- 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
+ acceleration/energy drift too large 2.15971555320186
+ 12.0927111165488 split increased to 2 itime 191438
itsplit 1
- acceleration/energy drift too large 12.7213070586935
- 78.4196782354728 split increased to 2 itime 191414
+ acceleration/energy drift too large 5.11488518385311
+ 12.6510033583978 split increased to 2 itime 191552
itsplit 1
- acceleration/energy drift too large 4.79174427316840
- 17.0975258531082 split increased to 2 itime 196621
+ acceleration/energy drift too large 6.71785908127635
+ 29.4698223327966 split increased to 2 itime 194791
itsplit 1
- acceleration/energy drift too large 2.18147054637810
- 11.7577308544435 split increased to 2 itime 196622
- itsplit 1
- acceleration/energy drift too large 2.74378588988487
- 22.0246636849097 split increased to 2 itime 196839
- itsplit 1
- acceleration/energy drift too large 8.05194057782343
- 18.5257176066138 split increased to 2 itime 197733
+ acceleration/energy drift too large 6.48587913575991
+ 25.1388882565480 split increased to 2 itime 196417
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 83.2929687500000 0.000000000000000E+000
+ REMD gather times= 71.3125000000000 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 0.00000 2
-ACC 3 270.00000 1.00000 2
+ACC 1 250.00000 0.00000 2
+ACC 2 260.00000 1.00000 2
+ACC 3 270.00000 0.00000 2
ACC 4 280.00000 0.50000 2
ACC 5 290.00000 0.50000 2
-ACC 6 300.00000 0.50000 2
-ACC 7 310.00000 0.50000 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 1.00000 2
-ACC 12 360.00000 1.00000 2
-ACC 13 370.00000 0.50000 2
-ACC 14 380.00000 1.00000 2
-ACC 15 390.00000 1.00000 2
+ACC 6 300.00000 0.00000 2
+ACC 7 310.00000 1.00000 2
REMD scatter time= 0.000000000000000E+000
REMD exchange time= 3.906250000000000E-003
- 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 8.31634426661832
- 29.4255928278135 split increased to 2 itime 205286
- itsplit 1
- acceleration/energy drift too large 1.54625494677873
- 15.1624323911780 split increased to 2 itime 205287
+ acceleration/energy drift too large 5.04986959202015
+ 17.4423959027605 split increased to 2 itime 200453
itsplit 1
- acceleration/energy drift too large 8.66182718985187
- 33.1905490207592 split increased to 2 itime 205685
+ acceleration/energy drift too large 1.77120798243602
+ 14.0383236025490 split increased to 2 itime 200868
itsplit 1
- acceleration/energy drift too large 9.13092632729939
- 37.2074484278480 split increased to 2 itime 205833
+ acceleration/energy drift too large 7.06139868639983
+ 40.4883518399707 split increased to 2 itime 201059
itsplit 1
- acceleration/energy drift too large 0.709681188924940
- 12.9865617346389 split increased to 2 itime 205834
+ acceleration/energy drift too large 3.61119911032072
+ 10.3704621121687 split increased to 2 itime 204048
itsplit 1
- acceleration/energy drift too large 3.92634174259366
- 10.7024357862876 split increased to 2 itime 207419
+ acceleration/energy drift too large 5.83867945112137
+ 14.5248846021839 split increased to 2 itime 204843
itsplit 1
- 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
+ acceleration/energy drift too large 7.84194152794477
+ 35.1685466291038 split increased to 2 itime 209391
itsplit 1
Velocities reset to random values, time 41999.80
- acceleration/energy drift too large 6.61929499240186
- 30.6306170475971 split increased to 2 itime 210383
+ acceleration/energy drift too large 6.47067855303554
+ 18.6943386246348 split increased to 2 itime 210412
itsplit 1
- acceleration/energy drift too large 4.28360811516255
- 25.9749345627328 split increased to 2 itime 211084
+ acceleration/energy drift too large 3.48583219935949
+ 12.6107197644507 split increased to 2 itime 211341
itsplit 1
- acceleration/energy drift too large 5.01466805108561
- 17.1365180315037 split increased to 2 itime 212605
+ acceleration/energy drift too large 4.72229409882591
+ 16.5838798171601 split increased to 2 itime 212797
itsplit 1
- acceleration/energy drift too large 7.80601320907850
- 29.6763213268298 split increased to 2 itime 214578
+ acceleration/energy drift too large 4.76762352198106
+ 14.0830207487805 split increased to 2 itime 214292
itsplit 1
- acceleration/energy drift too large 2.60999942929025
- 10.0848303222503 split increased to 2 itime 215155
+ acceleration/energy drift too large 7.76850500615964
+ 26.9398599462844 split increased to 2 itime 214699
itsplit 1
- acceleration/energy drift too large 3.86666704245465
- 11.3807625264393 split increased to 2 itime 217152
+ acceleration/energy drift too large 0.689801579848072
+ 10.3029318731357 split increased to 2 itime 216506
itsplit 1
- acceleration/energy drift too large 6.39539977336902
- 26.8394914157008 split increased to 2 itime 218225
+ acceleration/energy drift too large 5.12052281477349
+ 27.3311938058947 split increased to 2 itime 217205
itsplit 1
- acceleration/energy drift too large 1.96001737983379
- 10.0630460940503 split increased to 2 itime 219788
+ acceleration/energy drift too large 3.05356589478615
+ 18.9360326681612 split increased to 2 itime 217683
itsplit 1
- acceleration/energy drift too large 2.93444586528398
- 10.5828683706290 split increased to 2 itime 219841
+ acceleration/energy drift too large 1.73186194377800
+ 16.0554162672545 split increased to 2 itime 218057
itsplit 1
-Velocities reset to random values, time 43999.80
- acceleration/energy drift too large 2.40328511949559
- 17.9483934762652 split increased to 2 itime 220716
+ acceleration/energy drift too large 2.32285477862741
+ 11.1026929280745 split increased to 2 itime 218773
itsplit 1
- acceleration/energy drift too large 6.45258462901250
- 26.0945023333158 split increased to 2 itime 221270
+ acceleration/energy drift too large 3.65549288541357
+ 16.6458499238341 split increased to 2 itime 219390
itsplit 1
- acceleration/energy drift too large 4.23308996684634
- 11.3576310528166 split increased to 2 itime 223538
+ acceleration/energy drift too large 5.18715372201414
+ 10.8093805823300 split increased to 2 itime 219922
itsplit 1
- acceleration/energy drift too large 3.81906414352634
- 10.3732287061085 split increased to 2 itime 223737
+Velocities reset to random values, time 43999.80
+ acceleration/energy drift too large 2.95447992286656
+ 12.7652994902160 split increased to 2 itime 220760
itsplit 1
- acceleration/energy drift too large 4.41439393141235
- 24.1668518266648 split increased to 2 itime 224917
+ acceleration/energy drift too large 2.19720813832940
+ 10.7163808859348 split increased to 2 itime 222985
itsplit 1
- acceleration/energy drift too large 10.0475752078166
- 23.2109597267737 split increased to 2 itime 224988
+ acceleration/energy drift too large 2.35503101882773
+ 10.4528995583693 split increased to 2 itime 223502
itsplit 1
- acceleration/energy drift too large 4.71864488720977
- 11.3845369327899 split increased to 2 itime 224997
+ acceleration/energy drift too large 5.60633372113346
+ 20.2046253665332 split increased to 2 itime 225519
itsplit 1
- acceleration/energy drift too large 9.42857395214169
- 41.2904650673104 split increased to 2 itime 225050
+ acceleration/energy drift too large 4.09952203419512
+ 12.6995151274614 split increased to 2 itime 225845
itsplit 1
- acceleration/energy drift too large 8.72888190628566
- 17.7411147950760 split increased to 2 itime 225079
+ acceleration/energy drift too large 3.58490772926469
+ 13.9832460465008 split increased to 2 itime 226427
itsplit 1
- acceleration/energy drift too large 4.72254076388948
- 19.9287877633090 split increased to 2 itime 225554
+ acceleration/energy drift too large 4.85636683302399
+ 17.2042074214705 split increased to 2 itime 226705
itsplit 1
- acceleration/energy drift too large 5.11461192891853
- 10.0833881500307 split increased to 2 itime 226213
+ acceleration/energy drift too large 2.76912420851851
+ 10.4879736432583 split increased to 2 itime 226791
itsplit 1
- acceleration/energy drift too large 6.02186855813688
- 14.1461510643558 split increased to 2 itime 228436
+ acceleration/energy drift too large 4.99401916369597
+ 12.4041423089320 split increased to 2 itime 228130
itsplit 1
- acceleration/energy drift too large 4.22773033160916
- 10.7657976191876 split increased to 2 itime 228437
+ acceleration/energy drift too large 5.52815849245301
+ 20.5182879241915 split increased to 2 itime 228750
itsplit 1
- acceleration/energy drift too large 4.64580189624746
- 10.2839101455895 split increased to 2 itime 228575
+ acceleration/energy drift too large 3.91152817196886
+ 16.3911533803617 split increased to 2 itime 229413
itsplit 1
- acceleration/energy drift too large 3.83421492760248
- 10.7794029084714 split increased to 2 itime 228877
+ acceleration/energy drift too large 3.35671070855631
+ 10.3577882038775 split increased to 2 itime 229637
itsplit 1
Velocities reset to random values, time 45999.80
- acceleration/energy drift too large 3.52957986556487
- 13.2228438469939 split increased to 2 itime 232198
+ acceleration/energy drift too large 4.71773336271431
+ 12.3412921631413 split increased to 2 itime 231682
itsplit 1
- acceleration/energy drift too large 6.07188116802746
- 17.5134476134337 split increased to 2 itime 232793
+ acceleration/energy drift too large 6.46130904597427
+ 17.2600598523557 split increased to 2 itime 232079
itsplit 1
- acceleration/energy drift too large 10.8480853805683
- 49.0908290277122 split increased to 2 itime 235530
+ acceleration/energy drift too large 4.81864082697411
+ 15.7078644678088 split increased to 2 itime 232740
itsplit 1
-Velocities reset to random values, time 47999.80
- acceleration/energy drift too large 13.2618711901055
- 91.2655369239421 split increased to 2 itime 241114
+ acceleration/energy drift too large 6.07060701758781
+ 22.2710475485534 split increased to 2 itime 232898
itsplit 1
- acceleration/energy drift too large 4.12182398472707
- 11.1157352057395 split increased to 2 itime 243457
+ acceleration/energy drift too large 1.55401098553480
+ 12.2942970770967 split increased to 2 itime 232899
itsplit 1
- acceleration/energy drift too large 5.73062772146030
- 16.4048233684658 split increased to 2 itime 244659
+ acceleration/energy drift too large 8.56225911851462
+ 36.7691264090566 split increased to 2 itime 233988
itsplit 1
- acceleration/energy drift too large 9.74884741322674
- 50.8996772598169 split increased to 2 itime 245328
+ acceleration/energy drift too large 6.03366503799934
+ 18.4107234516097 split increased to 2 itime 234528
itsplit 1
- acceleration/energy drift too large 2.22064606371448
- 12.4207600938281 split increased to 2 itime 247770
+ acceleration/energy drift too large 6.90478983998945
+ 35.4679562638542 split increased to 2 itime 235613
itsplit 1
- acceleration/energy drift too large 5.62712609459097
- 14.1082468589472 split increased to 2 itime 248340
+ acceleration/energy drift too large 8.79177356426004
+ 23.5983617173168 split increased to 2 itime 236760
itsplit 1
- acceleration/energy drift too large 11.3888014403052
- 63.1921565033428 split increased to 2 itime 249171
+Velocities reset to random values, time 47999.80
+ acceleration/energy drift too large 3.13349280420372
+ 21.0777539445496 split increased to 2 itime 241844
itsplit 1
- acceleration/energy drift too large 9.55296981923448
- 47.0886399813410 split increased to 2 itime 249899
+ acceleration/energy drift too large 5.70343528148501
+ 19.6373014647953 split increased to 2 itime 245606
itsplit 1
-Velocities reset to random values, time 49999.80
- acceleration/energy drift too large 3.60019377253538
- 12.0982817526574 split increased to 2 itime 251165
+ acceleration/energy drift too large 5.93027026250220
+ 20.6984200040141 split increased to 2 itime 247425
itsplit 1
- acceleration/energy drift too large 7.85852692877818
- 11.0225081594300 split increased to 2 itime 251879
+ acceleration/energy drift too large 2.04708450608541
+ 10.9545873231158 split increased to 2 itime 247879
itsplit 1
- acceleration/energy drift too large 6.51078874740090
- 15.0566397848030 split increased to 2 itime 251913
+ acceleration/energy drift too large 5.16134116962011
+ 26.6408486701170 split increased to 2 itime 248850
itsplit 1
- acceleration/energy drift too large 2.99105013230266
- 10.0380446871612 split increased to 2 itime 252018
+ acceleration/energy drift too large 4.94552760239726
+ 20.4337809765788 split increased to 2 itime 248973
itsplit 1
- acceleration/energy drift too large 14.5686698663935
- 84.5112170410911 split increased to 2 itime 254905
- itsplit 1
- 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
+ acceleration/energy drift too large 9.57504176430275
+ 41.6627065022533 split increased to 2 itime 248983
itsplit 1
- acceleration/energy drift too large 6.03706093738253
- 41.2153436311167 split increased to 2 itime 256695
+ acceleration/energy drift too large 8.65403580638828
+ 37.7243114734647 split increased to 2 itime 249089
itsplit 1
- acceleration/energy drift too large 3.66186584358054
- 12.8922563820257 split increased to 2 itime 256699
+Velocities reset to random values, time 49999.80
+ acceleration/energy drift too large 8.50828510865141
+ 22.5380235932200 split increased to 2 itime 252210
itsplit 1
- acceleration/energy drift too large 6.10161337453991
- 37.2340783168568 split increased to 2 itime 256748
+ acceleration/energy drift too large 2.15227775469943
+ 15.8173695717929 split increased to 2 itime 252264
itsplit 1
- acceleration/energy drift too large 5.89309428021383
- 14.6005416015485 split increased to 2 itime 256812
+ acceleration/energy drift too large 4.42232239123855
+ 12.4473247388807 split increased to 2 itime 253237
itsplit 1
- acceleration/energy drift too large 0.908541415452403
- 10.0858359465829 split increased to 2 itime 256813
+ acceleration/energy drift too large 0.275439253550858
+ 11.8146853352462 split increased to 2 itime 255582
itsplit 1
- acceleration/energy drift too large 7.10032154667374
- 16.6927546409451 split increased to 2 itime 257040
+ acceleration/energy drift too large 9.41994076825744
+ 40.1045699911803 split increased to 2 itime 257698
itsplit 1
- acceleration/energy drift too large 2.40321301573065
- 13.6082964558467 split increased to 2 itime 257084
+ acceleration/energy drift too large 5.97142008948969
+ 13.8498713687809 split increased to 2 itime 257812
itsplit 1
Velocities reset to random values, time 51999.80
- acceleration/energy drift too large 2.60968315976693
- 12.6976307936141 split increased to 2 itime 261071
+ acceleration/energy drift too large 3.86230856893856
+ 11.3684738531104 split increased to 2 itime 260054
itsplit 1
- acceleration/energy drift too large 3.73132968750636
- 12.7070406502369 split increased to 2 itime 262016
+ acceleration/energy drift too large 4.59331585948751
+ 15.2648443597969 split increased to 2 itime 264822
itsplit 1
- acceleration/energy drift too large 5.13912045107119
- 15.0972899055288 split increased to 2 itime 263749
+ acceleration/energy drift too large 7.41117430525506
+ 38.7904390095289 split increased to 2 itime 266674
itsplit 1
- acceleration/energy drift too large 7.86486063776132
- 17.6202122391229 split increased to 2 itime 264940
+ acceleration/energy drift too large 4.26383770339643
+ 22.5065579939597 split increased to 2 itime 266937
itsplit 1
- acceleration/energy drift too large 6.21532916950030
- 17.2608699248967 split increased to 2 itime 266431
+ acceleration/energy drift too large 4.55826758571458
+ 21.5289783334577 split increased to 2 itime 268296
itsplit 1
- acceleration/energy drift too large 3.73033151712000
- 11.2947928872528 split increased to 2 itime 269847
+ acceleration/energy drift too large 7.84321474044143
+ 26.9197661528877 split increased to 2 itime 268607
itsplit 1
Velocities reset to random values, time 53999.80
- acceleration/energy drift too large 3.99540200963912
- 11.8667209490179 split increased to 2 itime 270182
- itsplit 1
- acceleration/energy drift too large 9.26636066801333
- 41.8287750555397 split increased to 2 itime 271467
- itsplit 1
- acceleration/energy drift too large 7.12789968032941
- 24.4758982889634 split increased to 2 itime 271616
- itsplit 1
- 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
+ acceleration/energy drift too large 4.21736897733046
+ 12.5835075642591 split increased to 2 itime 270947
itsplit 1
- acceleration/energy drift too large 4.75993481613499
- 11.8001263173960 split increased to 2 itime 274240
+ acceleration/energy drift too large 5.45680817312916
+ 15.5139334055430 split increased to 2 itime 273994
itsplit 1
- acceleration/energy drift too large 3.71357339631975
- 33.1825902947021 split increased to 2 itime 274301
+ acceleration/energy drift too large 2.94584084987492
+ 17.5273976533489 split increased to 2 itime 275667
itsplit 1
- acceleration/energy drift too large 5.89622793858152
- 30.1206116496957 split increased to 2 itime 274420
+ acceleration/energy drift too large 7.82008741209676
+ 23.7680629470853 split increased to 2 itime 276191
itsplit 1
- acceleration/energy drift too large 6.77615095227000
- 13.3108336258807 split increased to 2 itime 275814
+ acceleration/energy drift too large 5.91185136005424
+ 14.3409776734183 split increased to 2 itime 276602
itsplit 1
- acceleration/energy drift too large 6.23632689023794
- 16.7098632690357 split increased to 2 itime 275856
+ acceleration/energy drift too large 9.30373474768225
+ 39.2288712189322 split increased to 2 itime 277342
itsplit 1
- acceleration/energy drift too large 3.67804550555980
- 31.4810039435326 split increased to 2 itime 276570
+ acceleration/energy drift too large 5.12842366453655
+ 17.3401709724544 split increased to 2 itime 278632
itsplit 1
- acceleration/energy drift too large 8.45494725703595
- 23.0536492087727 split increased to 2 itime 277933
- itsplit 1
- acceleration/energy drift too large 5.48911458393291
- 10.5103165860132 split increased to 2 itime 278844
- itsplit 1
- acceleration/energy drift too large 7.40105036254575
- 16.0689853102769 split increased to 2 itime 278847
- itsplit 1
- acceleration/energy drift too large 6.10554939066468
- 40.6718336250730 split increased to 2 itime 279118
+ acceleration/energy drift too large 4.88538108886889
+ 29.4475700374634 split increased to 2 itime 279153
itsplit 1
Velocities reset to random values, time 55999.80
- acceleration/energy drift too large 3.28537470410276
- 20.6747400121524 split increased to 2 itime 281765
+ acceleration/energy drift too large 12.1214321616001
+ 63.9136807420454 split increased to 2 itime 280160
itsplit 1
- acceleration/energy drift too large 4.70342065008458
- 15.9989645918771 split increased to 2 itime 283859
+ acceleration/energy drift too large 4.11198024867563
+ 14.9258096683145 split increased to 2 itime 280388
itsplit 1
- acceleration/energy drift too large 5.84140696777540
- 20.4774264195300 split increased to 2 itime 284762
+ acceleration/energy drift too large 6.11379759441672
+ 15.5433300464461 split increased to 2 itime 282281
itsplit 1
- acceleration/energy drift too large 2.03082158198540
- 11.2720725752092 split increased to 2 itime 287493
+ acceleration/energy drift too large 3.83780927679593
+ 13.0738657259651 split increased to 2 itime 282733
itsplit 1
- acceleration/energy drift too large 7.00309966683752
- 16.0617861935087 split increased to 2 itime 287606
+ acceleration/energy drift too large 4.40603350636841
+ 19.4912528508841 split increased to 2 itime 285061
itsplit 1
-Velocities reset to random values, time 57999.80
- acceleration/energy drift too large 6.22308905806400
- 15.1466023622204 split increased to 2 itime 291339
+ acceleration/energy drift too large 5.12667437599219
+ 32.1625954459446 split increased to 2 itime 285843
itsplit 1
- acceleration/energy drift too large 9.70117018326357
- 41.4822538094974 split increased to 2 itime 292002
+ acceleration/energy drift too large 2.85336066414799
+ 13.1085424651594 split increased to 2 itime 285914
itsplit 1
- acceleration/energy drift too large 9.75868237189028
- 63.6387826163161 split increased to 2 itime 292093
+Velocities reset to random values, time 57999.80
+ acceleration/energy drift too large 4.56824504736003
+ 12.6444284802434 split increased to 2 itime 290424
itsplit 1
- acceleration/energy drift too large 6.14325235360887
- 11.1826495498602 split increased to 2 itime 293284
+ acceleration/energy drift too large 3.87878465965689
+ 10.1604863831226 split increased to 2 itime 291198
itsplit 1
- acceleration/energy drift too large 3.76747310928708
- 13.4650618907294 split increased to 2 itime 294149
+ acceleration/energy drift too large 8.60931865398679
+ 13.5943096231981 split increased to 2 itime 291220
itsplit 1
- acceleration/energy drift too large 5.01265935279020
- 11.9943450533954 split increased to 2 itime 294539
+ acceleration/energy drift too large 4.65627251943672
+ 14.5742852291969 split increased to 2 itime 295521
itsplit 1
- acceleration/energy drift too large 9.16741338746442
- 44.3606984722091 split increased to 2 itime 294839
+ acceleration/energy drift too large 8.71060369452743
+ 31.9004966595120 split increased to 2 itime 295550
itsplit 1
- acceleration/energy drift too large 4.23353641133757
- 20.9119667288597 split increased to 2 itime 294979
+ acceleration/energy drift too large 5.12102610734973
+ 17.1668382722410 split increased to 2 itime 297413
itsplit 1
- acceleration/energy drift too large 3.53076040140374
- 11.3639811419579 split increased to 2 itime 294980
+ acceleration/energy drift too large 6.70318389972560
+ 19.0602414327526 split increased to 2 itime 297986
itsplit 1
- acceleration/energy drift too large 7.36707832486697
- 20.7367661850704 split increased to 2 itime 298157
+ acceleration/energy drift too large 4.90237132099975
+ 14.1028315828767 split increased to 2 itime 298049
itsplit 1
- acceleration/energy drift too large 6.94842563034066
- 15.5955651015081 split increased to 2 itime 298877
+ acceleration/energy drift too large 0.000000000000000E+000
+ 10.1417049071437 split increased to 2 itime 298050
itsplit 1
- acceleration/energy drift too large 1.65154538894140
- 10.1972097545943 split increased to 2 itime 298979
+ acceleration/energy drift too large 5.65555810808125
+ 41.4868079146133 split increased to 2 itime 298417
itsplit 1
- acceleration/energy drift too large 7.15185215344458
- 13.5153996844075 split increased to 2 itime 299251
+ acceleration/energy drift too large 5.43229464474315
+ 13.8998520544523 split increased to 2 itime 298899
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 125.699218750000 0.000000000000000E+000
+ REMD gather times= 106.820312500000 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 0.00000 3
-ACC 3 270.00000 1.00000 3
-ACC 4 280.00000 0.33333 3
+ACC 1 250.00000 0.33333 3
+ACC 2 260.00000 1.00000 3
+ACC 3 270.00000 0.00000 3
+ACC 4 280.00000 0.66667 3
ACC 5 290.00000 0.33333 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 0.33333 3
-ACC 10 340.00000 0.66667 3
-ACC 11 350.00000 1.00000 3
-ACC 12 360.00000 1.00000 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= 3.906250000000000E-003
- acceleration/energy drift too large 6.14036705770926
- 18.0199551501946 split increased to 2 itime 305267
+ acceleration/energy drift too large 7.35367327845477
+ 20.9214420151335 split increased to 2 itime 300773
itsplit 1
- acceleration/energy drift too large 4.26377192331095
- 13.4952974061908 split increased to 2 itime 305406
+ acceleration/energy drift too large 6.78989382173155
+ 19.8029828194885 split increased to 2 itime 300969
itsplit 1
- acceleration/energy drift too large 5.47006528594019
- 18.6119922012360 split increased to 2 itime 305913
+ acceleration/energy drift too large 5.12573017383980
+ 14.2364121949043 split increased to 2 itime 306760
itsplit 1
- acceleration/energy drift too large 4.36090742371089
- 16.0707712500590 split increased to 2 itime 307806
+ acceleration/energy drift too large 6.55162723167004
+ 21.3452305347537 split increased to 2 itime 309522
itsplit 1
- acceleration/energy drift too large 5.78933950278265
- 15.4887855891323 split increased to 2 itime 308067
+ acceleration/energy drift too large 5.42353852781227
+ 16.6293535288344 split increased to 2 itime 309761
itsplit 1
- acceleration/energy drift too large 6.00010328017043
- 17.9279340627604 split increased to 2 itime 309665
+Velocities reset to random values, time 61999.80
+ acceleration/energy drift too large 3.23889653535032
+ 15.7317294457189 split increased to 2 itime 310691
itsplit 1
- acceleration/energy drift too large 3.24541600676081
- 10.2002976141646 split increased to 2 itime 309907
+ acceleration/energy drift too large 3.06279839621308
+ 11.2823995345813 split increased to 2 itime 310837
itsplit 1
-Velocities reset to random values, time 61999.80
- acceleration/energy drift too large 1.57988619191636
- 15.8076830206352 split increased to 2 itime 310385
+ acceleration/energy drift too large 5.95275204371731
+ 23.7990889338938 split increased to 2 itime 314175
+ itsplit 1
+ acceleration/energy drift too large 2.10792959972041
+ 10.9581796518699 split increased to 2 itime 314420
+ itsplit 1
+ acceleration/energy drift too large 2.36326887750937
+ 10.2192149117571 split increased to 2 itime 314734
itsplit 1
- acceleration/energy drift too large 8.18014635192363
- 28.0593848813975 split increased to 2 itime 312985
+ acceleration/energy drift too large 2.12790661630468
+ 10.5022673582976 split increased to 2 itime 315054
itsplit 1
- acceleration/energy drift too large 2.33150861681571
- 11.4815032368564 split increased to 2 itime 313167
+ acceleration/energy drift too large 3.73550685807948
+ 12.8630928590016 split increased to 2 itime 317893
itsplit 1
- acceleration/energy drift too large 7.86916827700445
- 30.9957201611157 split increased to 2 itime 314554
+ acceleration/energy drift too large 4.65661335551136
+ 17.5605298101154 split increased to 2 itime 319752
itsplit 1
- acceleration/energy drift too large 10.6617905701826
- 46.6034537820851 split increased to 2 itime 315154
+ acceleration/energy drift too large 8.25184122192299
+ 38.9796137074094 split increased to 2 itime 319848
itsplit 1
- acceleration/energy drift too large 3.66440750901955
- 20.4676098657149 split increased to 2 itime 315481
+ acceleration/energy drift too large 9.98445053141850
+ 43.7801007623462 split increased to 2 itime 319862
+ itsplit 1
+ acceleration/energy drift too large 4.87802310806314
+ 18.3454748983627 split increased to 2 itime 319891
itsplit 1
Velocities reset to random values, time 63999.80
- acceleration/energy drift too large 2.39463220234441
- 10.4728553312615 split increased to 2 itime 322451
+ acceleration/energy drift too large 3.74651357136715
+ 10.1310118324512 split increased to 2 itime 320074
+ itsplit 1
+ acceleration/energy drift too large 3.29102321256197
+ 10.2856452283981 split increased to 2 itime 320091
+ itsplit 1
+ acceleration/energy drift too large 2.72574311189301
+ 10.2454733224449 split increased to 2 itime 320092
itsplit 1
- acceleration/energy drift too large 7.13329635658139
- 20.2276122837697 split increased to 2 itime 323751
+ acceleration/energy drift too large 3.68778021687683
+ 10.4178185310908 split increased to 2 itime 320118
itsplit 1
- acceleration/energy drift too large 3.12073042991107
- 23.8058701954618 split increased to 2 itime 324262
+ acceleration/energy drift too large 6.28828378546653
+ 19.3874236682652 split increased to 2 itime 322733
itsplit 1
- acceleration/energy drift too large 4.95127578640813
- 13.6277428912764 split increased to 2 itime 326405
+ acceleration/energy drift too large 6.00718317089397
+ 27.9139512986341 split increased to 2 itime 324033
itsplit 1
- acceleration/energy drift too large 3.94302510404216
- 14.3050194790243 split increased to 2 itime 326516
+ acceleration/energy drift too large 4.76966061527189
+ 13.2108599143272 split increased to 2 itime 324417
itsplit 1
- acceleration/energy drift too large 7.70336276126331
- 30.4653326645627 split increased to 2 itime 327311
+ acceleration/energy drift too large 10.3415554037085
+ 50.6069233836537 split increased to 2 itime 324579
itsplit 1
- acceleration/energy drift too large 2.14945731392158
- 11.0402503418114 split increased to 2 itime 329749
+ acceleration/energy drift too large 7.34470740114270
+ 15.2805029692579 split increased to 2 itime 325636
itsplit 1
- acceleration/energy drift too large 1.96598025355131
- 11.1611501389205 split increased to 2 itime 329992
+ acceleration/energy drift too large 8.73462824416868
+ 35.3192103659400 split increased to 2 itime 326429
+ itsplit 1
+ acceleration/energy drift too large 5.78504739262277
+ 14.7601123661241 split increased to 2 itime 327431
itsplit 1
Velocities reset to random values, time 65999.80
- acceleration/energy drift too large 4.51681682489947
- 19.2612884956617 split increased to 2 itime 331485
+ acceleration/energy drift too large 4.10052059161875
+ 11.9119238457208 split increased to 2 itime 330153
itsplit 1
- acceleration/energy drift too large 6.99338235112554
- 17.8366713951685 split increased to 2 itime 334848
+ acceleration/energy drift too large 4.84313096892538
+ 15.9612891830595 split increased to 2 itime 331151
itsplit 1
- acceleration/energy drift too large 2.92502706654216
- 20.2546769500537 split increased to 2 itime 335356
+ acceleration/energy drift too large 3.88519136967124
+ 10.1333548831864 split increased to 2 itime 332952
itsplit 1
-Velocities reset to random values, time 67999.80
- acceleration/energy drift too large 2.96714410237503
- 18.0797101620718 split increased to 2 itime 340415
+ acceleration/energy drift too large 14.0180250529983
+ 71.4236155543714 split increased to 2 itime 334414
itsplit 1
- acceleration/energy drift too large 4.89200580561368
- 12.4782613433584 split increased to 2 itime 340717
+ acceleration/energy drift too large 8.09659531463820
+ 33.4074353746263 split increased to 2 itime 335607
itsplit 1
- acceleration/energy drift too large 6.04257981154011
- 17.8783583247033 split increased to 2 itime 342837
+ acceleration/energy drift too large 4.83787428394441
+ 12.6559769656188 split increased to 2 itime 337246
itsplit 1
- acceleration/energy drift too large 5.62826106164419
- 12.5200900481570 split increased to 2 itime 343711
+ acceleration/energy drift too large 4.01925590012436
+ 10.3800078141572 split increased to 2 itime 337543
itsplit 1
- acceleration/energy drift too large 5.10306475401487
- 15.4530311069751 split increased to 2 itime 344168
+Velocities reset to random values, time 67999.80
+ acceleration/energy drift too large 5.75806757951017
+ 14.8481276324008 split increased to 2 itime 340043
+ itsplit 1
+ acceleration/energy drift too large 9.49863327793092
+ 42.7253111914461 split increased to 2 itime 340533
itsplit 1
- acceleration/energy drift too large 3.94565809800341
- 12.5619675057818 split increased to 2 itime 344284
+ acceleration/energy drift too large 6.11398065869347
+ 11.6716675452473 split increased to 2 itime 341006
itsplit 1
- acceleration/energy drift too large 4.15608875696153
- 13.5389651061581 split increased to 2 itime 345458
+ acceleration/energy drift too large 6.10457354812252
+ 18.4520868488829 split increased to 2 itime 342058
itsplit 1
- acceleration/energy drift too large 2.91810714105702
- 11.2916217265935 split increased to 2 itime 345531
+ acceleration/energy drift too large 4.28786336275159
+ 14.2798607765123 split increased to 2 itime 344190
itsplit 1
- acceleration/energy drift too large 4.65018698442269
- 14.8375637397349 split increased to 2 itime 346191
+ acceleration/energy drift too large 7.89039096881630
+ 24.9334882081709 split increased to 2 itime 347945
itsplit 1
- acceleration/energy drift too large 3.28861495752257
- 23.0785264685811 split increased to 2 itime 348769
+ acceleration/energy drift too large 8.26289683278602
+ 24.4093439540585 split increased to 2 itime 349348
itsplit 1
Velocities reset to random values, time 69999.80
- acceleration/energy drift too large 12.9616498873059
- 66.4267814274533 split increased to 2 itime 352358
+ acceleration/energy drift too large 2.64128889508357
+ 12.0315473791651 split increased to 2 itime 351553
+ itsplit 1
+ acceleration/energy drift too large 4.82970237461517
+ 13.5992711587789 split increased to 2 itime 352523
+ itsplit 1
+ acceleration/energy drift too large 7.55084874761397
+ 28.2602671429188 split increased to 2 itime 358268
itsplit 1
- acceleration/energy drift too large 6.07400056543139
- 18.7799226327284 split increased to 2 itime 356563
+ acceleration/energy drift too large 8.94764483932842
+ 35.5760339508988 split increased to 2 itime 358477
itsplit 1
- acceleration/energy drift too large 3.45844607215838
- 16.9349894955048 split increased to 2 itime 359360
+ acceleration/energy drift too large 4.28015471588924
+ 10.7009988051356 split increased to 2 itime 358478
itsplit 1
Velocities reset to random values, time 71999.80
- acceleration/energy drift too large 5.94407265041726
- 18.6685796854342 split increased to 2 itime 360756
+ acceleration/energy drift too large 9.26969001226770
+ 42.7830304475367 split increased to 2 itime 364147
itsplit 1
- acceleration/energy drift too large 4.70979344926379
- 11.5727969939442 split increased to 2 itime 360797
+ acceleration/energy drift too large 4.67586347621599
+ 12.5482541376921 split increased to 2 itime 366519
itsplit 1
- acceleration/energy drift too large 9.64906636289422
- 41.9436076684552 split increased to 2 itime 362960
+ acceleration/energy drift too large 6.41481318096808
+ 14.4082845810489 split increased to 2 itime 367400
itsplit 1
- acceleration/energy drift too large 4.37678529242110
- 11.6873090123918 split increased to 2 itime 363553
+ acceleration/energy drift too large 3.94923410567777
+ 11.6983875440461 split increased to 2 itime 367443
itsplit 1
- acceleration/energy drift too large 2.77686498537882
- 16.2459969887775 split increased to 2 itime 364280
+ acceleration/energy drift too large 3.46240637809543
+ 10.8170229129344 split increased to 2 itime 368444
itsplit 1
- acceleration/energy drift too large 7.82079694629768
- 20.0562560642309 split increased to 2 itime 366028
+Velocities reset to random values, time 73999.80
+ acceleration/energy drift too large 6.86176904284407
+ 15.4940508931412 split increased to 2 itime 370062
itsplit 1
- acceleration/energy drift too large 6.38154922365337
- 19.2648740453593 split increased to 2 itime 367671
+ acceleration/energy drift too large 5.12084004739841
+ 16.2574632464893 split increased to 2 itime 370452
itsplit 1
- acceleration/energy drift too large 2.98815639133230
- 18.8168906719715 split increased to 2 itime 368714
+ acceleration/energy drift too large 6.76099083635789
+ 11.5846290838049 split increased to 2 itime 374196
itsplit 1
- acceleration/energy drift too large 3.87520211940088
- 16.3862869932882 split increased to 2 itime 368738
+ acceleration/energy drift too large 5.37735058611209
+ 11.7371502364196 split increased to 2 itime 374990
itsplit 1
- acceleration/energy drift too large 7.33452635636827
- 22.2992974869247 split increased to 2 itime 369611
+ acceleration/energy drift too large 7.47771109218572
+ 23.8251093422440 split increased to 2 itime 376242
itsplit 1
-Velocities reset to random values, time 73999.80
- acceleration/energy drift too large 4.23353208436053
- 13.0007702478467 split increased to 2 itime 371854
+ acceleration/energy drift too large 6.30886673124347
+ 20.6672578587837 split increased to 2 itime 377368
itsplit 1
- acceleration/energy drift too large 12.9107381885432
- 73.9069129695839 split increased to 2 itime 373997
+ acceleration/energy drift too large 5.58394265782339
+ 13.7088097288468 split increased to 2 itime 377713
itsplit 1
- acceleration/energy drift too large 2.56556741948068
- 12.3639539515507 split increased to 4 itime 373997
+Velocities reset to random values, time 75999.80
+ acceleration/energy drift too large 3.75985341363485
+ 10.9203595229680 split increased to 2 itime 380449
itsplit 1
- acceleration/energy drift too large 3.80366785571198
- 12.2139021895036 split increased to 2 itime 374953
+ acceleration/energy drift too large 4.61595659027962
+ 10.0285448996338 split increased to 2 itime 381941
itsplit 1
- acceleration/energy drift too large 3.19929708427991
- 19.4881951369311 split increased to 2 itime 376436
+ acceleration/energy drift too large 14.7929013117910
+ 79.8142561748281 split increased to 2 itime 385639
itsplit 1
- acceleration/energy drift too large 6.81607910776819
- 25.2599476544377 split increased to 2 itime 377164
+ acceleration/energy drift too large 2.88876974459196
+ 13.8007780886163 split increased to 4 itime 385639
+ itsplit 2
+ acceleration/energy drift too large 5.35939974367396
+ 13.4228459123920 split increased to 2 itime 386353
itsplit 1
- acceleration/energy drift too large 8.10144085502464
- 30.0271609870526 split increased to 2 itime 379412
+ acceleration/energy drift too large 6.54722075548949
+ 14.7786217610687 split increased to 2 itime 387391
itsplit 1
-Velocities reset to random values, time 75999.80
- acceleration/energy drift too large 6.32978937783952
- 15.4512994858330 split increased to 2 itime 383375
+ acceleration/energy drift too large 5.81280427651640
+ 10.4829174377707 split increased to 2 itime 389495
itsplit 1
- acceleration/energy drift too large 3.08494460271988
- 19.1132284606523 split increased to 2 itime 383623
+ acceleration/energy drift too large 7.95659278752673
+ 20.8084719246384 split increased to 2 itime 389747
itsplit 1
Velocities reset to random values, time 77999.80
- acceleration/energy drift too large 3.53196403810627
- 26.9094464923746 split increased to 2 itime 391200
+ acceleration/energy drift too large 5.97699623434320
+ 13.8708554472410 split increased to 2 itime 390042
itsplit 1
- acceleration/energy drift too large 5.81718668468991
- 13.0330358004952 split increased to 2 itime 392321
+ acceleration/energy drift too large 12.0160311647675
+ 58.8595555573153 split increased to 2 itime 391159
itsplit 1
- acceleration/energy drift too large 7.25426995272764
- 19.8179378851695 split increased to 2 itime 394326
+ acceleration/energy drift too large 6.28457980185172
+ 20.0315510444667 split increased to 2 itime 391531
itsplit 1
- acceleration/energy drift too large 5.68010372457845
- 19.3336631199910 split increased to 2 itime 395184
+ acceleration/energy drift too large 8.04272419132209
+ 34.7128567403093 split increased to 2 itime 391617
itsplit 1
- acceleration/energy drift too large 7.44491788150884
- 18.0916627175266 split increased to 2 itime 395697
+ acceleration/energy drift too large 8.85626058425943
+ 20.5868521258332 split increased to 2 itime 392558
itsplit 1
- acceleration/energy drift too large 5.02901589418160
- 15.2021112595187 split increased to 2 itime 396477
+ acceleration/energy drift too large 2.56791406558682
+ 21.9318063886533 split increased to 2 itime 394052
+ itsplit 1
+ acceleration/energy drift too large 5.79279614744002
+ 10.8272090192592 split increased to 2 itime 397578
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 166.960937500000 0.000000000000000E+000
+ REMD gather times= 142.207031250000 0.000000000000000E+000
REMD writing rst time= 3.906250000000000E-003
REMD writing traj time= 0.000000000000000E+000
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 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 0.75000 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 0.75000 4
-ACC 15 390.00000 1.00000 4
+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 0.75000 4
+ACC 5 290.00000 0.50000 4
+ACC 6 300.00000 0.25000 4
+ACC 7 310.00000 0.75000 4
REMD scatter time= 0.000000000000000E+000
REMD exchange time= 3.906250000000000E-003
- 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 5.68818357288487
- 20.5361782478856 split increased to 2 itime 400400
- itsplit 1
- acceleration/energy drift too large 5.05734016575414
- 13.6295437219163 split increased to 2 itime 401309
+ acceleration/energy drift too large 4.14567228098298
+ 10.1578960684591 split increased to 2 itime 400239
itsplit 1
- acceleration/energy drift too large 1.86254780196559
- 10.7681277520174 split increased to 2 itime 401310
+ acceleration/energy drift too large 5.26879957487070
+ 14.9554992185830 split increased to 2 itime 403068
itsplit 1
- acceleration/energy drift too large 5.77747979903795
- 36.0645897333760 split increased to 2 itime 402402
+ acceleration/energy drift too large 6.18212511832475
+ 13.8497003007966 split increased to 2 itime 403703
itsplit 1
- acceleration/energy drift too large 4.00144038270504
- 13.8135429047821 split increased to 2 itime 402737
+ acceleration/energy drift too large 3.13574683222475
+ 20.6003491953937 split increased to 2 itime 403986
itsplit 1
- acceleration/energy drift too large 4.29866175957193
- 10.0976949757903 split increased to 2 itime 404479
+ acceleration/energy drift too large 4.86642858228489
+ 10.4745895797771 split increased to 2 itime 405458
itsplit 1
- acceleration/energy drift too large 6.41008463083451
- 13.7772260179748 split increased to 2 itime 405234
+ acceleration/energy drift too large 9.57678893274423
+ 41.8164349224563 split increased to 2 itime 407330
itsplit 1
- acceleration/energy drift too large 3.65977818250669
- 21.5112992670215 split increased to 2 itime 407060
+ acceleration/energy drift too large 5.74643317022720
+ 17.6640554807391 split increased to 2 itime 407858
itsplit 1
- acceleration/energy drift too large 2.90222860612122
- 17.7471796738947 split increased to 2 itime 407456
+ acceleration/energy drift too large 8.42855117796255
+ 36.4545138182843 split increased to 2 itime 408162
itsplit 1
- acceleration/energy drift too large 1.98624372560750
- 11.0656152878900 split increased to 2 itime 407903
+ acceleration/energy drift too large 2.12413667696868
+ 10.7871231250817 split increased to 2 itime 409232
itsplit 1
- acceleration/energy drift too large 5.58524217331859
- 20.8399337375896 split increased to 2 itime 408143
+ acceleration/energy drift too large 4.71100166918187
+ 20.3524236996367 split increased to 2 itime 409536
itsplit 1
- acceleration/energy drift too large 12.5080707399777
- 81.2621738576996 split increased to 2 itime 408663
+ acceleration/energy drift too large 6.35337386900691
+ 15.7638626073734 split increased to 2 itime 409911
itsplit 1
- acceleration/energy drift too large 4.30164184470336
- 13.6203251228429 split increased to 2 itime 408809
+Velocities reset to random values, time 81999.80
+ acceleration/energy drift too large 4.98978628172275
+ 26.9995069999471 split increased to 2 itime 410033
itsplit 1
- acceleration/energy drift too large 5.34980338712054
- 12.4850829533231 split increased to 2 itime 408939
+ acceleration/energy drift too large 4.81677407642133
+ 10.3512421931891 split increased to 2 itime 410511
itsplit 1
- acceleration/energy drift too large 5.31131125255454
- 26.6891083725577 split increased to 2 itime 409617
+ acceleration/energy drift too large 4.52330948418696
+ 10.3258244589606 split increased to 2 itime 410698
itsplit 1
-Velocities reset to random values, time 81999.80
- acceleration/energy drift too large 6.60630620182258
- 10.4878867662942 split increased to 2 itime 411464
+ acceleration/energy drift too large 6.88819219583650
+ 11.0560422631759 split increased to 2 itime 411348
itsplit 1
- acceleration/energy drift too large 5.45184442941929
- 12.1836684769349 split increased to 2 itime 411500
+ acceleration/energy drift too large 4.86962350633540
+ 17.0945531822521 split increased to 2 itime 411351
itsplit 1
- acceleration/energy drift too large 4.49802478305205
- 16.6749389559801 split increased to 2 itime 412452
+ acceleration/energy drift too large 1.88156696200276
+ 10.3421448806290 split increased to 2 itime 411759
itsplit 1
- acceleration/energy drift too large 2.38876176430168
- 16.6560142798763 split increased to 2 itime 414243
+ acceleration/energy drift too large 5.73366917099341
+ 15.3661744697827 split increased to 2 itime 412122
itsplit 1
- acceleration/energy drift too large 7.04529849219812
- 16.3261240936741 split increased to 2 itime 414244
+ acceleration/energy drift too large 11.3314904545428
+ 58.8117035957041 split increased to 2 itime 412980
itsplit 1
- acceleration/energy drift too large 8.08863020950185
- 16.5372075140584 split increased to 2 itime 414772
+ acceleration/energy drift too large 4.19616087679523
+ 11.3975413678154 split increased to 2 itime 414926
itsplit 1
- acceleration/energy drift too large 2.42346890137440
- 10.9395480461588 split increased to 2 itime 416362
+ acceleration/energy drift too large 9.22093351213105
+ 39.9102569263772 split increased to 2 itime 415199
itsplit 1
- acceleration/energy drift too large 5.61471500099901
- 16.4366665797215 split increased to 2 itime 417905
+ acceleration/energy drift too large 13.6999565807434
+ 97.1386513239219 split increased to 2 itime 415470
itsplit 1
- acceleration/energy drift too large 5.79486989965426
- 14.4840979963871 split increased to 2 itime 418040
+ acceleration/energy drift too large 8.38594431501939
+ 39.1092958788721 split increased to 2 itime 415702
itsplit 1
- acceleration/energy drift too large 3.72297878246984
- 11.6413738687437 split increased to 2 itime 419003
+ acceleration/energy drift too large 6.15071490150246
+ 12.8677661513302 split increased to 2 itime 415840
itsplit 1
-Velocities reset to random values, time 83999.80
- acceleration/energy drift too large 2.92602109555918
- 10.8500017082320 split increased to 2 itime 420079
+ acceleration/energy drift too large 5.81221726591516
+ 13.4493560133215 split increased to 2 itime 415872
itsplit 1
- acceleration/energy drift too large 3.03114352899790
- 12.2362804405950 split increased to 2 itime 420081
+ acceleration/energy drift too large 5.77047191820640
+ 30.6824346361908 split increased to 2 itime 416954
itsplit 1
- acceleration/energy drift too large 2.35295543370644
- 11.3124450907815 split increased to 2 itime 420151
+ acceleration/energy drift too large 6.89063540129696
+ 19.9581605868142 split increased to 2 itime 417469
itsplit 1
- acceleration/energy drift too large 3.50348613860968
- 10.5467273708566 split increased to 2 itime 420175
+ acceleration/energy drift too large 5.33664948054752
+ 28.2304603771255 split increased to 2 itime 417519
itsplit 1
- acceleration/energy drift too large 2.82432865426328
- 10.3113332225141 split increased to 2 itime 420192
+ acceleration/energy drift too large 2.06516833029651
+ 16.8491351660898 split increased to 2 itime 417520
itsplit 1
- acceleration/energy drift too large 2.70656074693697
- 10.0456760209242 split increased to 2 itime 421552
+ acceleration/energy drift too large 2.10635687252004
+ 12.2726846527051 split increased to 2 itime 417724
itsplit 1
- acceleration/energy drift too large 2.46788759077814
- 10.1116659626759 split increased to 2 itime 421658
+ acceleration/energy drift too large 9.70107182906802
+ 51.4276685346757 split increased to 2 itime 418042
itsplit 1
- acceleration/energy drift too large 3.67050297705873
- 10.0962372187293 split increased to 2 itime 426084
+ acceleration/energy drift too large 11.4256124324001
+ 58.2059294231570 split increased to 2 itime 418358
itsplit 1
- acceleration/energy drift too large 3.97684964995184
- 10.7591533487442 split increased to 2 itime 426299
+ acceleration/energy drift too large 10.7827002501673
+ 50.8778503669460 split increased to 2 itime 418752
itsplit 1
- acceleration/energy drift too large 9.25427866291566
- 38.2844338203228 split increased to 2 itime 426426
+ acceleration/energy drift too large 3.38779869238113
+ 14.2949788584074 split increased to 2 itime 419039
itsplit 1
- acceleration/energy drift too large 2.68429290102680
- 10.5141228444183 split increased to 2 itime 429256
+ acceleration/energy drift too large 7.73775161940364
+ 19.0972736713189 split increased to 2 itime 419548
itsplit 1
- 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
+Velocities reset to random values, time 83999.80
+ acceleration/energy drift too large 5.68605719055494
+ 21.6155603471239 split increased to 2 itime 420225
itsplit 1
- acceleration/energy drift too large 6.61629535889058
- 14.6407177296350 split increased to 2 itime 431325
+ acceleration/energy drift too large 5.68892820627231
+ 19.4118502192566 split increased to 2 itime 420861
itsplit 1
- acceleration/energy drift too large 4.22037690861979
- 11.0314101364106 split increased to 2 itime 432636
+ acceleration/energy drift too large 10.0439734218588
+ 47.2487033187966 split increased to 2 itime 421670
itsplit 1
- acceleration/energy drift too large 6.30258627430140
- 16.7454931917144 split increased to 2 itime 437710
+ acceleration/energy drift too large 5.47339412743500
+ 33.2829258899845 split increased to 2 itime 422120
itsplit 1
- acceleration/energy drift too large 4.93028585222448
- 10.1146828248222 split increased to 2 itime 438488
+ acceleration/energy drift too large 6.19600868142090
+ 19.2464493455467 split increased to 2 itime 422162
itsplit 1
-Velocities reset to random values, time 87999.80
- acceleration/energy drift too large 5.70381729639942
- 18.3306074432939 split increased to 2 itime 440031
+ acceleration/energy drift too large 4.42550335198184
+ 13.3002774407281 split increased to 2 itime 422313
itsplit 1
- acceleration/energy drift too large 1.73304160727283
- 15.2623764747987 split increased to 2 itime 440032
+ acceleration/energy drift too large 7.61733544602201
+ 19.1646738304554 split increased to 2 itime 424281
itsplit 1
- acceleration/energy drift too large 4.56485756154144
- 10.3226744059756 split increased to 2 itime 441403
+ acceleration/energy drift too large 5.51313231984201
+ 13.1304765302765 split increased to 2 itime 429269
itsplit 1
- acceleration/energy drift too large 8.34392273423473
- 37.6529947252206 split increased to 2 itime 441652
+ acceleration/energy drift too large 3.89946265645200
+ 13.0965168402541 split increased to 2 itime 429391
itsplit 1
- acceleration/energy drift too large 14.5377310527035
- 93.8365599058750 split increased to 2 itime 441798
+Velocities reset to random values, time 85999.80
+ acceleration/energy drift too large 3.00944054106349
+ 21.7443452420508 split increased to 2 itime 430461
itsplit 1
- acceleration/energy drift too large 4.80006721709591
- 12.1840925755445 split increased to 2 itime 441908
+ acceleration/energy drift too large 14.8954181967819
+ 88.4048105887835 split increased to 2 itime 431823
itsplit 1
- acceleration/energy drift too large 4.26879957960456
- 15.0542603059793 split increased to 2 itime 442136
+ acceleration/energy drift too large 9.94176516095727
+ 42.4872497219224 split increased to 2 itime 432022
itsplit 1
- acceleration/energy drift too large 5.81606763576605
- 11.3205012944265 split increased to 2 itime 442787
+ acceleration/energy drift too large 6.23470882474163
+ 15.5525453252929 split increased to 2 itime 432171
itsplit 1
- acceleration/energy drift too large 6.68458225828296
- 16.0269377752747 split increased to 2 itime 443702
+ acceleration/energy drift too large 5.41918616258370
+ 17.1080467249397 split increased to 2 itime 432500
itsplit 1
- acceleration/energy drift too large 1.08876571849410
- 11.3106978689261 split increased to 2 itime 444787
+ acceleration/energy drift too large 2.27676135901298
+ 18.5049601529521 split increased to 2 itime 433330
itsplit 1
- acceleration/energy drift too large 4.60158225588970
- 12.8753355128081 split increased to 2 itime 445191
+ acceleration/energy drift too large 7.00769995839438
+ 19.2896079520490 split increased to 2 itime 433613
itsplit 1
- acceleration/energy drift too large 5.71284368271182
- 13.0441493668053 split increased to 2 itime 446498
+ acceleration/energy drift too large 6.93690090424629
+ 17.8341756590310 split increased to 2 itime 434441
itsplit 1
- acceleration/energy drift too large 4.08975449515228
- 11.1980395520096 split increased to 2 itime 448765
+ acceleration/energy drift too large 5.55354232096533
+ 11.4205064214690 split increased to 2 itime 435356
itsplit 1
-Velocities reset to random values, time 89999.80
- acceleration/energy drift too large 5.51806760767473
- 10.0389181763390 split increased to 2 itime 451444
+ acceleration/energy drift too large 5.14853138938794
+ 10.6050654215215 split increased to 2 itime 435618
itsplit 1
- acceleration/energy drift too large 4.89601834431224
- 15.3498037181972 split increased to 2 itime 451972
+ acceleration/energy drift too large 6.60092337728288
+ 33.0101512112822 split increased to 2 itime 437350
itsplit 1
- acceleration/energy drift too large 6.23720488219205
- 17.1851054054325 split increased to 2 itime 452084
+Velocities reset to random values, time 87999.80
+ acceleration/energy drift too large 13.6592896856749
+ 88.9015219630973 split increased to 2 itime 441774
itsplit 1
- acceleration/energy drift too large 4.58932054602775
- 18.7977500343322 split increased to 2 itime 452929
+ acceleration/energy drift too large 2.46348004182816
+ 12.3782291996004 split increased to 4 itime 441774
+ itsplit 2
+ acceleration/energy drift too large 3.54043967380647
+ 10.0486808607833 split increased to 2 itime 445866
itsplit 1
- acceleration/energy drift too large 5.56237123733507
- 12.7913744548320 split increased to 2 itime 453216
+ acceleration/energy drift too large 2.92455430247481
+ 12.6524247842736 split increased to 2 itime 445867
itsplit 1
- acceleration/energy drift too large 3.58279615868732
- 15.2959406203168 split increased to 2 itime 453219
+ acceleration/energy drift too large 7.67544554731927
+ 19.4810564394497 split increased to 2 itime 446724
itsplit 1
- acceleration/energy drift too large 11.1213772478023
- 46.3841950544220 split increased to 2 itime 453872
+ acceleration/energy drift too large 3.90099766073171
+ 23.3560809141264 split increased to 2 itime 447228
itsplit 1
- acceleration/energy drift too large 4.13851622806596
- 10.6780468380809 split increased to 2 itime 454381
+ acceleration/energy drift too large 4.45798668066122
+ 18.9807961373059 split increased to 2 itime 447281
itsplit 1
- acceleration/energy drift too large 3.74630404792018
- 10.6581469173462 split increased to 2 itime 454481
+ acceleration/energy drift too large 5.38438019262344
+ 15.3390845045811 split increased to 2 itime 447978
itsplit 1
- acceleration/energy drift too large 4.82383104561475
- 17.6019974643713 split increased to 2 itime 459150
+ acceleration/energy drift too large 7.83099699189810
+ 30.8507751399870 split increased to 2 itime 448101
itsplit 1
- acceleration/energy drift too large 3.45230359857573
- 23.0707364820223 split increased to 2 itime 459423
+ acceleration/energy drift too large 4.00293276106146
+ 10.8990379064475 split increased to 2 itime 449799
itsplit 1
-Velocities reset to random values, time 91999.80
- acceleration/energy drift too large 7.55651341940125
- 14.3161472057622 split increased to 2 itime 461291
+Velocities reset to random values, time 89999.80
+ acceleration/energy drift too large 5.44186349482767
+ 11.7812184181700 split increased to 2 itime 450609
itsplit 1
- acceleration/energy drift too large 2.84539568842633
- 10.0410781864573 split increased to 2 itime 461328
+ acceleration/energy drift too large 3.69746589967971
+ 26.7797868914454 split increased to 2 itime 450725
itsplit 1
- acceleration/energy drift too large 5.09560757168631
- 24.7295693849353 split increased to 2 itime 461748
+ acceleration/energy drift too large 4.90272624177840
+ 15.5522169854892 split increased to 2 itime 451433
itsplit 1
- acceleration/energy drift too large 8.88064083784093
- 30.2571500008540 split increased to 2 itime 464140
+ acceleration/energy drift too large 3.82784652554982
+ 10.1898089243181 split increased to 2 itime 451879
itsplit 1
- acceleration/energy drift too large 13.0478806998572
- 65.6988585618023 split increased to 2 itime 464242
+ acceleration/energy drift too large 5.56788751877978
+ 11.8970075207578 split increased to 2 itime 452078
itsplit 1
- acceleration/energy drift too large 5.73682788280344
- 14.3504756669256 split increased to 2 itime 464954
+ acceleration/energy drift too large 2.76614285514433
+ 10.5797415108156 split increased to 2 itime 453603
itsplit 1
- acceleration/energy drift too large 7.06956444842371
- 30.1039942405940 split increased to 2 itime 467521
+ acceleration/energy drift too large 7.25151819919390
+ 20.0896368521627 split increased to 2 itime 453866
itsplit 1
- acceleration/energy drift too large 3.66467429207180
- 10.9559110978075 split increased to 2 itime 469986
+ acceleration/energy drift too large 4.69451494698192
+ 14.5495489447828 split increased to 2 itime 455115
itsplit 1
-Velocities reset to random values, time 93999.80
- acceleration/energy drift too large 3.19800585602260
- 21.7405857986595 split increased to 2 itime 470659
+ acceleration/energy drift too large 3.38606018946030
+ 15.1745359112982 split increased to 2 itime 459874
itsplit 1
- acceleration/energy drift too large 8.85430114988912
- 23.2552825825834 split increased to 2 itime 472016
+Velocities reset to random values, time 91999.80
+ acceleration/energy drift too large 7.28381859127254
+ 28.8170158661161 split increased to 2 itime 460048
itsplit 1
- acceleration/energy drift too large 2.35868460260603
- 15.3591816065782 split increased to 2 itime 472868
+ acceleration/energy drift too large 5.50560429472906
+ 17.9092464370252 split increased to 2 itime 460057
itsplit 1
- acceleration/energy drift too large 6.00277478241406
- 13.0879192096663 split increased to 2 itime 473029
+ acceleration/energy drift too large 4.23591585270680
+ 20.5737691935078 split increased to 2 itime 461251
itsplit 1
- acceleration/energy drift too large 6.03556984952876
- 14.4925823131893 split increased to 2 itime 474235
+ acceleration/energy drift too large 2.97364607213663
+ 16.2878430012388 split increased to 2 itime 462933
itsplit 1
- acceleration/energy drift too large 8.03857879222263
- 31.3892393963778 split increased to 2 itime 475769
+ acceleration/energy drift too large 6.19520367692832
+ 17.4084279927807 split increased to 2 itime 464563
itsplit 1
- acceleration/energy drift too large 2.68094275793852
- 14.4922156138871 split increased to 2 itime 476470
+ acceleration/energy drift too large 4.58270491687804
+ 17.4416067257404 split increased to 2 itime 467590
itsplit 1
- acceleration/energy drift too large 1.64801565014529
- 10.9824660838088 split increased to 2 itime 477499
+ acceleration/energy drift too large 5.69178354110884
+ 17.2005257371764 split increased to 2 itime 467903
itsplit 1
- acceleration/energy drift too large 3.01622375647000
- 17.5365461156522 split increased to 2 itime 477839
+Velocities reset to random values, time 93999.80
+ acceleration/energy drift too large 6.36991829220413
+ 16.7399045121755 split increased to 2 itime 471061
itsplit 1
- acceleration/energy drift too large 5.67247664914790
- 17.1511889192023 split increased to 2 itime 478453
+ acceleration/energy drift too large 6.66292893746631
+ 26.6111200024138 split increased to 2 itime 471818
itsplit 1
- acceleration/energy drift too large 4.12416409244210
- 25.2642031131087 split increased to 2 itime 478670
+ acceleration/energy drift too large 9.16590331677039
+ 44.3675816236730 split increased to 2 itime 474251
itsplit 1
- acceleration/energy drift too large 2.81395930873809
- 17.9298693833074 split increased to 2 itime 479589
+ acceleration/energy drift too large 2.24213841823808
+ 10.6467743867935 split increased to 4 itime 474251
itsplit 1
-Velocities reset to random values, time 95999.80
- acceleration/energy drift too large 9.71006888965418
- 43.5334053650288 split increased to 2 itime 482223
+ acceleration/energy drift too large 6.07530930255569
+ 19.3861838883052 split increased to 2 itime 474615
itsplit 1
- acceleration/energy drift too large 2.35740672815709
- 12.0451634727567 split increased to 4 itime 482223
+ acceleration/energy drift too large 4.67360320512719
+ 12.2887885754669 split increased to 2 itime 474986
itsplit 1
- acceleration/energy drift too large 5.74927957329776
- 12.6579481794377 split increased to 2 itime 484638
+ acceleration/energy drift too large 7.39388547960362
+ 23.3712512346473 split increased to 2 itime 477796
itsplit 1
- acceleration/energy drift too large 9.78118034494031
- 28.2828310451464 split increased to 2 itime 484728
+ acceleration/energy drift too large 3.81045958994541
+ 12.1411538393427 split increased to 2 itime 477824
itsplit 1
- acceleration/energy drift too large 9.68267321371970
- 42.3593847883843 split increased to 2 itime 485494
+ acceleration/energy drift too large 14.2587939552438
+ 94.1841505100999 split increased to 2 itime 478076
itsplit 1
- acceleration/energy drift too large 4.42579350401370
- 10.2725395270998 split increased to 2 itime 485716
+ acceleration/energy drift too large 4.35867205411145
+ 18.7295623271397 split increased to 2 itime 478289
itsplit 1
- acceleration/energy drift too large 3.18339360769986
- 10.8570910218073 split increased to 2 itime 485728
+Velocities reset to random values, time 95999.80
+ acceleration/energy drift too large 9.85753820722132
+ 42.7191060195763 split increased to 2 itime 480521
itsplit 1
- acceleration/energy drift too large 6.44442385760056
- 18.6106258336047 split increased to 2 itime 486176
+ acceleration/energy drift too large 8.12583973580350
+ 29.5642994627241 split increased to 2 itime 480870
itsplit 1
- acceleration/energy drift too large 6.51892020255872
- 32.4813134923197 split increased to 2 itime 486369
+ acceleration/energy drift too large 13.9133803334951
+ 88.8021900448253 split increased to 2 itime 481887
itsplit 1
- acceleration/energy drift too large 4.22000676048773
- 13.6083323510623 split increased to 2 itime 488965
+ acceleration/energy drift too large 13.9770945592872
+ 89.1611692231718 split increased to 2 itime 482673
itsplit 1
-Velocities reset to random values, time 97999.80
- acceleration/energy drift too large 11.3922384870131
- 56.5788223971007 split increased to 2 itime 492841
+ acceleration/energy drift too large 6.42504158721127
+ 20.7530410264628 split increased to 2 itime 483191
itsplit 1
- acceleration/energy drift too large 8.92256670559727
- 22.8244283306071 split increased to 2 itime 494693
+ acceleration/energy drift too large 4.91410421910848
+ 16.4803014126304 split increased to 2 itime 483985
itsplit 1
- acceleration/energy drift too large 2.39202541132213
- 12.9894383674737 split increased to 2 itime 495760
+ acceleration/energy drift too large 3.95323394703519
+ 10.0091370668373 split increased to 2 itime 484203
itsplit 1
- acceleration/energy drift too large 7.61856327644377
- 24.5816129369387 split increased to 2 itime 496465
+ acceleration/energy drift too large 2.27882666315951
+ 11.1731607585690 split increased to 2 itime 484404
itsplit 1
- acceleration/energy drift too large 6.63742434934600
- 18.8972686128190 split increased to 2 itime 497485
+ acceleration/energy drift too large 3.94548236930482
+ 12.2148081969839 split increased to 2 itime 484957
itsplit 1
- acceleration/energy drift too large 4.91149919597901
- 12.6508427238783 split increased to 2 itime 498339
+ acceleration/energy drift too large 5.80668254820707
+ 20.3726089590318 split increased to 2 itime 485342
itsplit 1
- acceleration/energy drift too large 8.14744608405261
- 15.1582373108203 split increased to 2 itime 498340
+ acceleration/energy drift too large 4.49839829765005
+ 12.1140974876646 split increased to 2 itime 485838
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= 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 0.60000 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 0.60000 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 0.80000 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 2.29854593647179
- 15.8073991672753 split increased to 2 itime 502036
+ acceleration/energy drift too large 7.02534933565054
+ 20.0475189803911 split increased to 2 itime 488704
itsplit 1
- acceleration/energy drift too large 2.68244123688550
- 14.3841304167236 split increased to 2 itime 505566
+ acceleration/energy drift too large 6.09847510591320
+ 27.7575355802442 split increased to 2 itime 488959
itsplit 1
- acceleration/energy drift too large 4.65532954366415
- 14.4118693418659 split increased to 2 itime 506140
+ acceleration/energy drift too large 3.14467409999345
+ 24.8978911055659 split increased to 2 itime 489188
itsplit 1
- acceleration/energy drift too large 4.61616847401486
- 16.0163330007229 split increased to 2 itime 506641
+Velocities reset to random values, time 97999.80
+ acceleration/energy drift too large 5.45496156591142
+ 12.8080092496226 split increased to 2 itime 490079
itsplit 1
- acceleration/energy drift too large 4.44252398805343
- 26.3863252590741 split increased to 2 itime 506748
+ acceleration/energy drift too large 4.01837516405972
+ 16.7376477139302 split increased to 2 itime 491192
itsplit 1
- acceleration/energy drift too large 13.9011689252740
- 91.4367517490967 split increased to 2 itime 507465
+ acceleration/energy drift too large 3.02913904319764
+ 15.5200565060933 split increased to 2 itime 491194
itsplit 1
- acceleration/energy drift too large 5.13146849765083
- 18.2873924962788 split increased to 2 itime 508916
+ acceleration/energy drift too large 6.29165591621433
+ 21.9411176356098 split increased to 2 itime 491333
itsplit 1
- acceleration/energy drift too large 4.95627043395891
- 18.0115126956180 split increased to 2 itime 509723
+ acceleration/energy drift too large 6.16037712430891
+ 22.2576029652741 split increased to 2 itime 491816
itsplit 1
-Velocities reset to random values, time 101999.80
- acceleration/energy drift too large 3.84433703809153
- 22.5672088375248 split increased to 2 itime 510507
+ acceleration/energy drift too large 6.88356193156306
+ 23.4281341799772 split increased to 2 itime 492025
itsplit 1
- acceleration/energy drift too large 6.53086514334016
- 18.2161751623721 split increased to 2 itime 511824
+ acceleration/energy drift too large 8.82246812127039
+ 22.1502942207221 split increased to 2 itime 492336
itsplit 1
- acceleration/energy drift too large 7.48775850056174
- 13.2996337620537 split increased to 2 itime 511999
+ acceleration/energy drift too large 2.66397446631173
+ 19.8380799829167 split increased to 2 itime 493122
itsplit 1
- acceleration/energy drift too large 4.83672405247937
- 12.3172285924762 split increased to 2 itime 512064
+ acceleration/energy drift too large 4.10704288076487
+ 13.1472900850458 split increased to 2 itime 494424
itsplit 1
- acceleration/energy drift too large 2.01039213881941
- 10.5616899804902 split increased to 2 itime 513320
+ acceleration/energy drift too large 4.55356362668030
+ 13.1992717368682 split increased to 2 itime 495279
itsplit 1
- acceleration/energy drift too large 5.69768130593826
- 11.7203499283889 split increased to 2 itime 513345
+ acceleration/energy drift too large 2.40735082200164
+ 13.0407729891832 split increased to 2 itime 495296
itsplit 1
- acceleration/energy drift too large 10.4388962180242
- 17.0499232887529 split increased to 2 itime 515387
+ acceleration/energy drift too large 7.41267982959629
+ 28.8525924789304 split increased to 2 itime 495622
itsplit 1
- acceleration/energy drift too large 2.00605906306598
- 11.2345656324404 split increased to 2 itime 518083
+ acceleration/energy drift too large 6.41694207665455
+ 20.4691503930183 split increased to 2 itime 496512
itsplit 1
- acceleration/energy drift too large 5.22358263004173
- 10.3120136805115 split increased to 2 itime 518914
+ acceleration/energy drift too large 5.57535256318552
+ 13.8483568079167 split increased to 2 itime 497533
itsplit 1
- acceleration/energy drift too large 7.04738263776422
- 25.8308135932592 split increased to 2 itime 519452
+ acceleration/energy drift too large 6.43140432065003
+ 14.0325507119251 split increased to 2 itime 497623
itsplit 1
- acceleration/energy drift too large 6.19172046198573
- 18.5340625898011 split increased to 2 itime 519610
+ acceleration/energy drift too large 4.09127650127437
+ 10.9077688292003 split increased to 2 itime 497756
itsplit 1
-Velocities reset to random values, time 103999.80
- acceleration/energy drift too large 9.15583984836490
- 40.7986540351518 split increased to 2 itime 520138
+ acceleration/energy drift too large 3.78353938165421
+ 11.0204224132586 split increased to 2 itime 498054
itsplit 1
- acceleration/energy drift too large 6.11449440120927
- 21.9391804943868 split increased to 2 itime 520740
+ acceleration/energy drift too large 2.99416537640353
+ 13.9986800946547 split increased to 2 itime 498424
itsplit 1
- acceleration/energy drift too large 6.63329310400782
- 10.7404114349471 split increased to 2 itime 522426
+ acceleration/energy drift too large 6.34072718536181
+ 12.4297537664797 split increased to 2 itime 498504
itsplit 1
- acceleration/energy drift too large 4.54392573270688
- 20.3173990323092 split increased to 2 itime 522875
+ acceleration/energy drift too large 6.13931257011917
+ 15.5706797784598 split increased to 2 itime 498754
itsplit 1
- acceleration/energy drift too large 4.32796781107870
- 12.5181272050320 split increased to 2 itime 523912
+ acceleration/energy drift too large 2.03701510983962
+ 12.9465923773051 split increased to 2 itime 499086
itsplit 1
- acceleration/energy drift too large 2.86690969790619
- 17.3250199877835 split increased to 2 itime 524531
+Velocities reset to random values, time 99999.80
+ REMD synchro at 500000
+ ntwx_cache 1 1 1 1 1 1 1 1
+ MIN ii_write= 1
+ REMD gather times= 178.105468750000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
+ REMD writing traj time= 3.906250000000000E-003
+ NREP 16
+ACC 1 250.00000 0.60000 5
+ACC 2 260.00000 0.60000 5
+ACC 3 270.00000 0.40000 5
+ACC 4 280.00000 0.80000 5
+ACC 5 290.00000 0.60000 5
+ACC 6 300.00000 0.20000 5
+ACC 7 310.00000 0.80000 5
+ REMD scatter time= 0.000000000000000E+000
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 4.02959317601332
+ 13.6126190265967 split increased to 2 itime 501459
itsplit 1
- acceleration/energy drift too large 2.66042351249967
- 17.4602906145521 split increased to 2 itime 524635
+ acceleration/energy drift too large 3.68807989823371
+ 10.4644702780551 split increased to 2 itime 504143
itsplit 1
- acceleration/energy drift too large 3.03376260683306
- 12.1273042308087 split increased to 2 itime 524866
+ acceleration/energy drift too large 3.30501705107850
+ 14.9928110161307 split increased to 2 itime 505141
itsplit 1
- acceleration/energy drift too large 15.5665566425656
- 92.1298350872707 split increased to 2 itime 525065
+ acceleration/energy drift too large 4.27125576287522
+ 14.2188081605634 split increased to 2 itime 505944
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
+ acceleration/energy drift too large 5.49595472859528
+ 19.2222438789483 split increased to 2 itime 507460
itsplit 1
- acceleration/energy drift too large 5.33488332081674
- 23.3004088071154 split increased to 2 itime 525341
+ acceleration/energy drift too large 3.12532242599198
+ 12.1449988629503 split increased to 2 itime 507690
itsplit 1
- acceleration/energy drift too large 7.76754853743968
- 16.6916320522963 split increased to 2 itime 525908
+ acceleration/energy drift too large 4.92733101562694
+ 10.3124778099357 split increased to 2 itime 508285
itsplit 1
- acceleration/energy drift too large 3.51661705443787
- 15.3784899372868 split increased to 2 itime 526521
+Velocities reset to random values, time 101999.80
+ acceleration/energy drift too large 4.02486555091767
+ 10.1644055036684 split increased to 2 itime 510120
itsplit 1
- acceleration/energy drift too large 2.73003779070210
- 13.3923824299512 split increased to 2 itime 526523
+ acceleration/energy drift too large 5.17193091154719
+ 12.5627522548015 split increased to 2 itime 510466
itsplit 1
- acceleration/energy drift too large 6.12758198296207
- 10.0770873123538 split increased to 2 itime 526549
+ acceleration/energy drift too large 4.60209363035482
+ 10.5438823186234 split increased to 2 itime 511253
itsplit 1
- acceleration/energy drift too large 5.83522560849220
- 17.7403573889444 split increased to 2 itime 527116
+ acceleration/energy drift too large 7.23466582559582
+ 23.3132656444335 split increased to 2 itime 511550
itsplit 1
- acceleration/energy drift too large 2.21808198084933
- 12.4536597915259 split increased to 2 itime 527830
+ acceleration/energy drift too large 5.10512455563458
+ 10.8156774918085 split increased to 2 itime 511836
itsplit 1
- acceleration/energy drift too large 3.54022489694818
- 19.2599963082361 split increased to 2 itime 527909
+ acceleration/energy drift too large 5.20315759198078
+ 13.2628990977266 split increased to 2 itime 511884
itsplit 1
- acceleration/energy drift too large 4.06285054297691
- 19.1489856324852 split increased to 2 itime 528239
+ acceleration/energy drift too large 4.78005534976085
+ 12.2442997564241 split increased to 2 itime 512167
itsplit 1
- acceleration/energy drift too large 2.85156090899884
- 10.6591170184129 split increased to 2 itime 528276
+ acceleration/energy drift too large 3.12087114089560
+ 10.4882915279731 split increased to 2 itime 512525
itsplit 1
- acceleration/energy drift too large 13.3122186917888
- 58.2408829202785 split increased to 2 itime 528541
+ acceleration/energy drift too large 4.51201860144741
+ 10.5649692285249 split increased to 2 itime 513140
itsplit 1
- acceleration/energy drift too large 7.79023291509361
- 31.1485033964163 split increased to 2 itime 529199
+ acceleration/energy drift too large 3.85636644381946
+ 12.7585382931350 split increased to 2 itime 513877
itsplit 1
-Velocities reset to random values, time 105999.80
- acceleration/energy drift too large 6.59343638359191
- 16.0513201315544 split increased to 2 itime 530268
+ acceleration/energy drift too large 10.6468633667681
+ 61.7079325561056 split increased to 2 itime 516848
itsplit 1
- acceleration/energy drift too large 8.85202539207420
- 44.5376898943888 split increased to 2 itime 530291
+ acceleration/energy drift too large 5.28268213874046
+ 13.7554675795918 split increased to 2 itime 517695
itsplit 1
- acceleration/energy drift too large 4.81385816112243
- 10.6340948695958 split increased to 2 itime 530811
+ acceleration/energy drift too large 5.17490461815626
+ 32.7840714946649 split increased to 2 itime 518692
itsplit 1
- acceleration/energy drift too large 9.06408743292701
- 25.8810638485329 split increased to 2 itime 532658
+ acceleration/energy drift too large 2.97085304194491
+ 17.9465820095778 split increased to 2 itime 519294
itsplit 1
- acceleration/energy drift too large 5.02182857275473
- 13.2090626658142 split increased to 2 itime 534174
+Velocities reset to random values, time 103999.80
+ acceleration/energy drift too large 4.25697645576407
+ 14.2760590655210 split increased to 2 itime 520032
itsplit 1
- acceleration/energy drift too large 5.25592004135374
- 14.6332175954952 split increased to 2 itime 534685
+ acceleration/energy drift too large 3.11718373853585
+ 20.8804370989476 split increased to 2 itime 521897
itsplit 1
- acceleration/energy drift too large 5.94402458606601
- 15.8103851457932 split increased to 2 itime 534892
+ acceleration/energy drift too large 7.03554071583873
+ 19.2572956692297 split increased to 2 itime 526343
itsplit 1
- acceleration/energy drift too large 6.48915610908048
- 20.0008050779865 split increased to 2 itime 536365
+ acceleration/energy drift too large 3.98855798884300
+ 14.6329600812598 split increased to 2 itime 526358
itsplit 1
- acceleration/energy drift too large 4.30127268318257
- 12.1895806718313 split increased to 2 itime 537042
+ acceleration/energy drift too large 4.77388553625435
+ 18.1903361461846 split increased to 2 itime 526367
itsplit 1
- acceleration/energy drift too large 5.48928458328062
- 36.5066510782668 split increased to 2 itime 537205
+ acceleration/energy drift too large 9.28111586617292
+ 49.3775812376357 split increased to 2 itime 527294
itsplit 1
- acceleration/energy drift too large 2.91571466978629
- 13.4079047611202 split increased to 2 itime 537533
+ acceleration/energy drift too large 2.87531653979810
+ 13.9781322089187 split increased to 2 itime 527716
itsplit 1
- acceleration/energy drift too large 5.39977600716001
- 15.2279870706319 split increased to 2 itime 537539
+ acceleration/energy drift too large 6.41562401286818
+ 33.0032899439757 split increased to 2 itime 527743
itsplit 1
- acceleration/energy drift too large 2.79465510892675
- 16.6651450561997 split increased to 2 itime 537798
+ acceleration/energy drift too large 2.48022012401766
+ 14.7666053003183 split increased to 2 itime 529678
itsplit 1
- acceleration/energy drift too large 2.79938696306419
- 21.4801998874201 split increased to 2 itime 538120
+ acceleration/energy drift too large 5.76663778639655
+ 12.8106074519363 split increased to 2 itime 529969
itsplit 1
- acceleration/energy drift too large 3.75652088495072
- 21.9522487755563 split increased to 2 itime 539655
+Velocities reset to random values, time 105999.80
+ acceleration/energy drift too large 4.00266085765521
+ 10.0697042998406 split increased to 2 itime 531668
itsplit 1
-Velocities reset to random values, time 107999.80
- acceleration/energy drift too large 4.69218036690820
- 25.9261383152055 split increased to 2 itime 540378
+ acceleration/energy drift too large 6.52529049958738
+ 21.4092103941072 split increased to 2 itime 532342
itsplit 1
- acceleration/energy drift too large 3.27370905349800
- 14.7554083915639 split increased to 2 itime 540379
+ acceleration/energy drift too large 1.90883855156555
+ 13.8819412710774 split increased to 2 itime 532931
itsplit 1
- acceleration/energy drift too large 2.87479692619505
- 10.3031639317353 split increased to 2 itime 540693
+ acceleration/energy drift too large 3.91455614758431
+ 12.5658384673387 split increased to 2 itime 534599
itsplit 1
- acceleration/energy drift too large 7.45087913017497
- 16.8838572606227 split increased to 2 itime 540903
+ acceleration/energy drift too large 5.38134943465112
+ 22.0039497134830 split increased to 2 itime 536223
itsplit 1
- acceleration/energy drift too large 9.13934273600370
- 14.5424832901503 split increased to 2 itime 541586
+ acceleration/energy drift too large 5.52745634337144
+ 11.7023761377822 split increased to 2 itime 537297
itsplit 1
- acceleration/energy drift too large 3.28878330811168
- 14.0668966944636 split increased to 2 itime 543429
+ acceleration/energy drift too large 4.12665916358978
+ 19.2836716186485 split increased to 2 itime 538136
itsplit 1
- acceleration/energy drift too large 7.10176764303912
- 24.9810693167586 split increased to 2 itime 543553
+ acceleration/energy drift too large 4.88428005960397
+ 24.3889276716360 split increased to 2 itime 539032
itsplit 1
- acceleration/energy drift too large 3.67518507545133
- 15.7115257943942 split increased to 2 itime 545570
+ acceleration/energy drift too large 5.50667374098110
+ 12.5678714741039 split increased to 2 itime 539138
itsplit 1
- acceleration/energy drift too large 1.82763923355613
- 10.6430662085738 split increased to 2 itime 547010
+Velocities reset to random values, time 107999.80
+ acceleration/energy drift too large 6.26736189305329
+ 41.5673100662356 split increased to 2 itime 541304
itsplit 1
- acceleration/energy drift too large 6.79709874604756
- 14.5338016910421 split increased to 2 itime 547780
+ acceleration/energy drift too large 6.06631465419178
+ 27.2488439753576 split increased to 2 itime 542215
itsplit 1
- acceleration/energy drift too large 8.66740940004443
- 46.2577262639354 split increased to 2 itime 548806
+ acceleration/energy drift too large 7.45515899386947
+ 27.4659575192654 split increased to 2 itime 543617
itsplit 1
Velocities reset to random values, time 109999.80
- acceleration/energy drift too large 6.98031515830752
- 16.3681412044044 split increased to 2 itime 550805
+ acceleration/energy drift too large 7.56805665191549
+ 33.3421834544186 split increased to 2 itime 551971
itsplit 1
- acceleration/energy drift too large 5.56466717964789
- 10.6893576160746 split increased to 2 itime 551560
+ acceleration/energy drift too large 4.08836129839993
+ 16.0557351452040 split increased to 2 itime 552295
itsplit 1
- acceleration/energy drift too large 8.66722800102975
- 34.4091533001656 split increased to 2 itime 552626
+ acceleration/energy drift too large 8.90350801700557
+ 36.5132637905209 split increased to 2 itime 553153
itsplit 1
- acceleration/energy drift too large 5.95206494199864
- 11.2952160044880 split increased to 2 itime 553204
+ acceleration/energy drift too large 3.86394135918973
+ 15.6399554219104 split increased to 2 itime 553443
itsplit 1
- acceleration/energy drift too large 2.35136563570144
- 13.2945253411659 split increased to 2 itime 554126
+ acceleration/energy drift too large 2.81009149317671
+ 20.0584298686373 split increased to 2 itime 555952
itsplit 1
- acceleration/energy drift too large 11.9223534725259
- 79.4676007348885 split increased to 2 itime 555534
+ acceleration/energy drift too large 4.07071333644774
+ 10.6782501608805 split increased to 2 itime 557849
itsplit 1
- acceleration/energy drift too large 2.67477582364081
- 16.0805512160547 split increased to 2 itime 555712
+ acceleration/energy drift too large 5.75349778087074
+ 15.6104485936550 split increased to 2 itime 559102
itsplit 1
- acceleration/energy drift too large 3.05331615230430
- 21.6011469271110 split increased to 2 itime 557780
+ acceleration/energy drift too large 3.48997368450934
+ 23.0787219451678 split increased to 2 itime 559172
itsplit 1
- acceleration/energy drift too large 1.90693733319519
- 16.6227389467311 split increased to 2 itime 557888
+Velocities reset to random values, time 111999.80
+ acceleration/energy drift too large 3.73443370875608
+ 10.2019630053568 split increased to 2 itime 561006
itsplit 1
- acceleration/energy drift too large 4.68712896029507
- 23.3016288899550 split increased to 2 itime 557889
+ acceleration/energy drift too large 6.85889246721373
+ 14.7358423105225 split increased to 2 itime 561175
itsplit 1
- acceleration/energy drift too large 5.97999828190783
- 15.6192571238231 split increased to 2 itime 558809
+ acceleration/energy drift too large 4.65233842460228
+ 14.9313087357713 split increased to 2 itime 561444
itsplit 1
- acceleration/energy drift too large 2.96730456950088
- 15.6387284064022 split increased to 4 itime 558809
+ acceleration/energy drift too large 5.25282290961204
+ 10.2232557797893 split increased to 2 itime 561497
itsplit 1
- acceleration/energy drift too large 4.59198521960932
- 13.7940417166715 split increased to 2 itime 559360
+ acceleration/energy drift too large 3.40067799260836
+ 18.0378507534394 split increased to 2 itime 562551
itsplit 1
-Velocities reset to random values, time 111999.80
- acceleration/energy drift too large 2.35422885529428
- 12.3844122229284 split increased to 2 itime 560597
+ acceleration/energy drift too large 4.29452451950854
+ 20.2960124452273 split increased to 2 itime 562716
itsplit 1
- acceleration/energy drift too large 2.07645355591264
- 12.2378076716551 split increased to 2 itime 561389
+ acceleration/energy drift too large 4.44556304743286
+ 11.6335791630833 split increased to 2 itime 563208
itsplit 1
- acceleration/energy drift too large 2.05634760347692
- 15.0578788967549 split increased to 2 itime 561773
+ acceleration/energy drift too large 4.43422299380342
+ 16.5050588723654 split increased to 2 itime 564990
itsplit 1
- acceleration/energy drift too large 1.42048036885650
- 13.9729052444533 split increased to 2 itime 561774
+ acceleration/energy drift too large 5.93961796160273
+ 20.8292363541741 split increased to 2 itime 566174
itsplit 1
- acceleration/energy drift too large 8.48943980437466
- 32.9077199343050 split increased to 2 itime 562016
+ acceleration/energy drift too large 5.61109467830912
+ 12.1173556273488 split increased to 2 itime 566184
itsplit 1
- acceleration/energy drift too large 5.30527770550581
- 17.7444499326357 split increased to 2 itime 562083
+ acceleration/energy drift too large 3.18605728174925
+ 12.5227633325845 split increased to 2 itime 566335
itsplit 1
- acceleration/energy drift too large 2.88916388335188
- 17.6869812212281 split increased to 2 itime 562216
+ acceleration/energy drift too large 6.74141132760484
+ 13.0647938758710 split increased to 2 itime 569358
itsplit 1
- acceleration/energy drift too large 3.59941094123962
- 16.1052811475477 split increased to 2 itime 562866
+ acceleration/energy drift too large 3.17927202531743
+ 18.6224983447441 split increased to 4 itime 569358
itsplit 1
- acceleration/energy drift too large 2.39924592935212
- 13.1506650427648 split increased to 2 itime 563401
+Velocities reset to random values, time 113999.80
+ acceleration/energy drift too large 13.2550980864704
+ 82.1390830457506 split increased to 2 itime 572619
itsplit 1
- acceleration/energy drift too large 4.58747319947896
- 10.8645422531091 split increased to 2 itime 567695
+ acceleration/energy drift too large 7.02166513732237
+ 24.7431943337560 split increased to 2 itime 575611
itsplit 1
- acceleration/energy drift too large 5.17856857583628
- 15.5385825169482 split increased to 2 itime 567770
+ acceleration/energy drift too large 5.09736730645375
+ 11.6600890248677 split increased to 2 itime 577476
itsplit 1
- acceleration/energy drift too large 2.62603418418936
- 13.2701379553715 split increased to 2 itime 569146
+ acceleration/energy drift too large 1.59334960145375
+ 15.8994441472690 split increased to 2 itime 578029
itsplit 1
- acceleration/energy drift too large 5.76454091570550
- 17.5633387139892 split increased to 2 itime 569961
+ acceleration/energy drift too large 7.33206749686078
+ 17.8485618620143 split increased to 2 itime 579439
itsplit 1
-Velocities reset to random values, time 113999.80
- acceleration/energy drift too large 3.12444653347003
- 23.0348432841966 split increased to 2 itime 570383
+Velocities reset to random values, time 115999.80
+ acceleration/energy drift too large 5.88858145054191
+ 10.5428681155506 split increased to 2 itime 581049
itsplit 1
- acceleration/energy drift too large 5.57240800016863
- 14.3438953539638 split increased to 2 itime 571543
+ acceleration/energy drift too large 8.05235907274557
+ 38.7580811097186 split increased to 2 itime 581236
itsplit 1
- acceleration/energy drift too large 6.07292006609762
- 11.0777211419461 split increased to 2 itime 573381
+ acceleration/energy drift too large 7.12596154192948
+ 19.7341132838073 split increased to 2 itime 581412
itsplit 1
- acceleration/energy drift too large 2.28093411665101
- 10.4660672106310 split increased to 2 itime 574212
+ acceleration/energy drift too large 7.11481376975739
+ 22.8848981441934 split increased to 2 itime 583868
itsplit 1
- acceleration/energy drift too large 6.53241140843577
- 19.1558542404852 split increased to 2 itime 576438
+ acceleration/energy drift too large 7.18723132225655
+ 20.7111995529729 split increased to 2 itime 585774
itsplit 1
- acceleration/energy drift too large 5.68789008951812
- 14.0658460157882 split increased to 2 itime 577705
+ acceleration/energy drift too large 9.28836993791469
+ 41.5232765941437 split increased to 2 itime 586175
itsplit 1
- acceleration/energy drift too large 8.20097815367452
- 36.8902960307492 split increased to 2 itime 578473
+ acceleration/energy drift too large 5.16281298447282
+ 12.1748824095806 split increased to 2 itime 586932
itsplit 1
- acceleration/energy drift too large 1.51425958160191
- 13.1804138702093 split increased to 2 itime 578545
+ acceleration/energy drift too large 6.18998310255038
+ 16.5559530114100 split increased to 2 itime 587143
itsplit 1
- acceleration/energy drift too large 5.37370806534808
- 14.3785070914200 split increased to 2 itime 579708
+ acceleration/energy drift too large 5.05174052581004
+ 10.7293376753050 split increased to 2 itime 588142
itsplit 1
-Velocities reset to random values, time 115999.80
- acceleration/energy drift too large 6.96646248262088
- 12.8563205428295 split increased to 2 itime 580371
+ acceleration/energy drift too large 5.14888007035509
+ 23.5403130998774 split increased to 2 itime 589494
itsplit 1
- acceleration/energy drift too large 8.54330576346264
- 32.4804116759017 split increased to 2 itime 580466
+ acceleration/energy drift too large 6.99016470526621
+ 26.0193482011312 split increased to 2 itime 589626
itsplit 1
- acceleration/energy drift too large 2.69589584217436
- 15.2144147449625 split increased to 2 itime 584088
+Velocities reset to random values, time 117999.80
+ acceleration/energy drift too large 6.89685190100605
+ 33.3905188034018 split increased to 2 itime 590155
itsplit 1
- acceleration/energy drift too large 2.30350853608901
- 12.3126092757199 split increased to 2 itime 584625
+ acceleration/energy drift too large 3.26993516546691
+ 21.7731451557345 split increased to 2 itime 590291
itsplit 1
- acceleration/energy drift too large 4.01504169354178
- 12.2130902509090 split increased to 2 itime 588313
+ acceleration/energy drift too large 3.37680892151916
+ 24.6228127451975 split increased to 2 itime 590409
itsplit 1
- acceleration/energy drift too large 4.38807970078082
- 20.6770918114537 split increased to 2 itime 589944
+ acceleration/energy drift too large 4.53976404422536
+ 12.5058223510017 split increased to 2 itime 591157
itsplit 1
-Velocities reset to random values, time 117999.80
- acceleration/energy drift too large 6.71897035978137
- 28.4205738302086 split increased to 2 itime 592709
+ acceleration/energy drift too large 6.82018175048431
+ 15.4746575445569 split increased to 2 itime 592808
itsplit 1
- acceleration/energy drift too large 1.49105938446176
- 13.6849763065613 split increased to 2 itime 593951
+ acceleration/energy drift too large 10.2275750784186
+ 49.6022275086000 split increased to 2 itime 593205
itsplit 1
- acceleration/energy drift too large 4.87540020038454
- 10.5344347514523 split increased to 2 itime 595391
+ acceleration/energy drift too large 5.47434376447913
+ 14.5557701820272 split increased to 2 itime 594555
itsplit 1
- acceleration/energy drift too large 6.37401459263186
- 16.5042090427831 split increased to 2 itime 595734
+ acceleration/energy drift too large 8.72736617698358
+ 53.8128565844652 split increased to 2 itime 594843
itsplit 1
- acceleration/energy drift too large 14.1035717005955
- 75.1750417367117 split increased to 2 itime 596405
+ acceleration/energy drift too large 1.94050063926102
+ 11.5882180579845 split increased to 4 itime 594843
+ itsplit 2
+ acceleration/energy drift too large 3.86479843971020
+ 10.0468444335252 split increased to 2 itime 597973
+ itsplit 1
+ acceleration/energy drift too large 6.23525554765170
+ 12.1069424059439 split increased to 2 itime 598882
itsplit 1
- acceleration/energy drift too large 2.89892918912561
- 13.0401003630253 split increased to 4 itime 596405
+ acceleration/energy drift too large 3.64242107523450
+ 13.7592737126432 split increased to 2 itime 598980
itsplit 1
- acceleration/energy drift too large 4.84936774104886
- 12.7318493527923 split increased to 2 itime 597704
+ acceleration/energy drift too large 6.98008674048710
+ 13.9804660451051 split increased to 2 itime 599378
itsplit 1
- acceleration/energy drift too large 8.60165584802023
- 29.0098303557514 split increased to 2 itime 598337
+ acceleration/energy drift too large 2.31138270374148
+ 10.7579429714139 split increased to 2 itime 599567
itsplit 1
- acceleration/energy drift too large 9.63496183633879
- 53.3706950189951 split increased to 2 itime 599676
+ acceleration/energy drift too large 2.70348674324109
+ 12.1125663928009 split increased to 2 itime 599568
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 249.179687500000 0.000000000000000E+000
+ REMD gather times= 214.503906250000 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 6
-ACC 2 260.00000 0.33333 6
+ACC 2 260.00000 0.50000 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 0.50000 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 1.00000 6
-ACC 13 370.00000 0.83333 6
-ACC 14 380.00000 0.83333 6
-ACC 15 390.00000 1.00000 6
+ACC 4 280.00000 0.83333 6
+ACC 5 290.00000 0.50000 6
+ACC 6 300.00000 0.16667 6
+ACC 7 310.00000 0.83333 6
REMD scatter time= 0.000000000000000E+000
REMD exchange time= 3.906250000000000E-003
- acceleration/energy drift too large 6.41276825986567
- 26.4277149156826 split increased to 2 itime 600320
+ acceleration/energy drift too large 1.77872449938108
+ 12.4074712572749 split increased to 2 itime 600695
itsplit 1
- acceleration/energy drift too large 10.6976883010763
- 48.1606203208920 split increased to 2 itime 600549
+ acceleration/energy drift too large 5.88264006633262
+ 24.0154657363688 split increased to 2 itime 603602
itsplit 1
- acceleration/energy drift too large 10.8196055611741
- 56.1981159295086 split increased to 2 itime 603701
+ acceleration/energy drift too large 3.58962993382072
+ 27.3757533986038 split increased to 2 itime 607677
itsplit 1
- 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
+Velocities reset to random values, time 121999.80
+ acceleration/energy drift too large 4.78053573858882
+ 15.6385980381927 split increased to 2 itime 610370
itsplit 1
- acceleration/energy drift too large 5.94218665276763
- 15.5938481698655 split increased to 2 itime 606928
+ acceleration/energy drift too large 8.17216444671970
+ 18.5571352153736 split increased to 2 itime 610888
itsplit 1
- acceleration/energy drift too large 7.58908302344115
- 17.1372827036672 split increased to 2 itime 607182
+ acceleration/energy drift too large 3.02458494696023
+ 21.0678689263434 split increased to 2 itime 610933
itsplit 1
- acceleration/energy drift too large 4.15460812778985
- 10.4130263845320 split increased to 2 itime 607213
+ acceleration/energy drift too large 4.89126204892329
+ 11.0822267710705 split increased to 2 itime 615132
itsplit 1
- acceleration/energy drift too large 4.84809355797531
- 16.9150687006580 split increased to 2 itime 607587
+ acceleration/energy drift too large 7.88600842148707
+ 41.4264843405944 split increased to 2 itime 615637
itsplit 1
-Velocities reset to random values, time 121999.80
- acceleration/energy drift too large 2.44061536562066
- 11.9723875473272 split increased to 2 itime 610202
- itsplit 1
- acceleration/energy drift too large 2.57954359429579
- 17.5213648292393 split increased to 2 itime 610786
+ acceleration/energy drift too large 2.32685917333491
+ 11.6345729316180 split increased to 4 itime 615637
+ itsplit 2
+ acceleration/energy drift too large 3.79610797363990
+ 11.7985231761999 split increased to 2 itime 616153
itsplit 1
- acceleration/energy drift too large 8.38530834060213
- 29.9543411984409 split increased to 2 itime 611185
+ acceleration/energy drift too large 9.53105383072803
+ 38.9926056921474 split increased to 2 itime 617630
itsplit 1
- acceleration/energy drift too large 10.0919946306030
- 43.4888860857781 split increased to 2 itime 619815
+ acceleration/energy drift too large 10.0800412776949
+ 43.8888060529705 split increased to 2 itime 619781
itsplit 1
Velocities reset to random values, time 123999.80
- acceleration/energy drift too large 6.18684650279322
- 15.9608751784289 split increased to 2 itime 621503
+ acceleration/energy drift too large 2.06683485687040
+ 11.1306074696389 split increased to 2 itime 623099
+ itsplit 1
+ acceleration/energy drift too large 6.78374339043441
+ 11.4735505111829 split increased to 2 itime 623318
+ itsplit 1
+ acceleration/energy drift too large 2.66952133330569
+ 16.7455693307388 split increased to 2 itime 623669
itsplit 1
- acceleration/energy drift too large 5.75769098249470
- 10.0874691808690 split increased to 2 itime 622543
+ acceleration/energy drift too large 4.99402504423781
+ 13.4981957334313 split increased to 2 itime 627485
itsplit 1
- acceleration/energy drift too large 2.66221614418340
- 14.7231648874483 split increased to 2 itime 622641
+ acceleration/energy drift too large 4.00483142537483
+ 12.8763698778062 split increased to 2 itime 627891
itsplit 1
- acceleration/energy drift too large 4.96613819252275
- 13.8013680922376 split increased to 2 itime 628928
+ acceleration/energy drift too large 3.41970343605932
+ 19.0808135246891 split increased to 2 itime 628389
itsplit 1
- acceleration/energy drift too large 3.83242761843283
- 10.8665466335966 split increased to 2 itime 629902
+ acceleration/energy drift too large 8.43670870268743
+ 22.9626740420243 split increased to 2 itime 629260
+ itsplit 1
+ acceleration/energy drift too large 6.73002663531179
+ 18.8484906626213 split increased to 2 itime 629315
itsplit 1
Velocities reset to random values, time 125999.80
- acceleration/energy drift too large 2.72691050792927
- 11.0984258664679 split increased to 2 itime 630973
+ acceleration/energy drift too large 6.06942960228455
+ 17.6382085207961 split increased to 2 itime 630702
+ itsplit 1
+ acceleration/energy drift too large 3.20151637609958
+ 10.3669121959245 split increased to 2 itime 630733
+ itsplit 1
+ acceleration/energy drift too large 4.90307597081948
+ 18.3289101962260 split increased to 2 itime 630735
+ itsplit 1
+ acceleration/energy drift too large 2.34878757026214
+ 11.3967422946692 split increased to 2 itime 634230
+ itsplit 1
+ acceleration/energy drift too large 7.92272362812657
+ 29.6676944772035 split increased to 2 itime 635786
itsplit 1
- acceleration/energy drift too large 4.97156017872708
- 10.2480597569472 split increased to 2 itime 634308
+ acceleration/energy drift too large 6.05807391008262
+ 17.2322703067828 split increased to 2 itime 637043
itsplit 1
- acceleration/energy drift too large 4.03284780170917
- 10.1000116361740 split increased to 2 itime 638393
+ acceleration/energy drift too large 6.73482418523891
+ 32.2825943492874 split increased to 2 itime 637843
itsplit 1
- acceleration/energy drift too large 4.89500499984303
- 11.9759679367495 split increased to 2 itime 639196
+ acceleration/energy drift too large 2.21519730418305
+ 13.7227954170196 split increased to 2 itime 639307
itsplit 1
Velocities reset to random values, time 127999.80
- acceleration/energy drift too large 3.06989545426596
- 10.4965501986433 split increased to 2 itime 640824
+ acceleration/energy drift too large 4.75791164787478
+ 16.7646782600610 split increased to 2 itime 641315
itsplit 1
- acceleration/energy drift too large 3.17295956605742
- 18.4466342827992 split increased to 2 itime 641621
+ acceleration/energy drift too large 3.95626908616688
+ 11.5327602186747 split increased to 2 itime 642275
itsplit 1
- acceleration/energy drift too large 5.06746929650148
- 15.7128075882309 split increased to 2 itime 642969
+ acceleration/energy drift too large 5.91305147667457
+ 13.6971789331280 split increased to 2 itime 642368
itsplit 1
- acceleration/energy drift too large 2.18317934469786
- 14.6312354513596 split increased to 2 itime 643206
+ acceleration/energy drift too large 5.13234276888079
+ 18.0631497477260 split increased to 2 itime 642796
itsplit 1
- acceleration/energy drift too large 4.37995501256237
- 24.2084004236204 split increased to 2 itime 644581
+ acceleration/energy drift too large 5.66702598585662
+ 18.4785500465566 split increased to 2 itime 643066
itsplit 1
- acceleration/energy drift too large 3.44001208407200
- 25.3830960573422 split increased to 2 itime 648060
+ acceleration/energy drift too large 2.17312690963991
+ 10.7260396229272 split increased to 2 itime 643761
itsplit 1
- acceleration/energy drift too large 7.16657364223353
- 27.6746915333814 split increased to 2 itime 648427
+ acceleration/energy drift too large 4.60735553635725
+ 13.2235244542801 split increased to 2 itime 644134
itsplit 1
- acceleration/energy drift too large 5.84896942754945
- 25.2359015418186 split increased to 2 itime 648495
+ acceleration/energy drift too large 4.46912306264459
+ 12.5537841959807 split increased to 2 itime 647110
+ itsplit 1
+ acceleration/energy drift too large 4.31910983586121
+ 13.4763576495311 split increased to 2 itime 647423
+ itsplit 1
+ acceleration/energy drift too large 6.15080981623952
+ 12.3734910616574 split increased to 2 itime 649593
+ itsplit 1
+ acceleration/energy drift too large 8.47510626128469
+ 15.7347604355732 split increased to 2 itime 649872
itsplit 1
Velocities reset to random values, time 129999.80
- acceleration/energy drift too large 3.78643276963843
- 10.2963640236438 split increased to 2 itime 652879
+ acceleration/energy drift too large 7.37874587405585
+ 19.8100459966226 split increased to 2 itime 650788
itsplit 1
- acceleration/energy drift too large 5.64049113636900
- 11.1603554186969 split increased to 2 itime 654040
+ acceleration/energy drift too large 6.87302002028736
+ 12.6162486455940 split increased to 2 itime 651821
itsplit 1
- acceleration/energy drift too large 5.57056954492371
- 18.6329322859279 split increased to 2 itime 654109
+ acceleration/energy drift too large 9.33549496953655
+ 41.6242428328701 split increased to 2 itime 653711
itsplit 1
- acceleration/energy drift too large 5.35294542117865
- 17.6212195519249 split increased to 2 itime 654569
+ acceleration/energy drift too large 2.59208333544832
+ 12.1413471360919 split increased to 4 itime 653711
itsplit 1
- acceleration/energy drift too large 7.73546474668400
- 38.0023103411554 split increased to 2 itime 656639
+ acceleration/energy drift too large 4.26218558511195
+ 11.4332171394728 split increased to 2 itime 656547
itsplit 1
- acceleration/energy drift too large 5.56535716970280
- 18.8421516008909 split increased to 2 itime 656650
+ acceleration/energy drift too large 12.1784176633852
+ 66.8018381797311 split increased to 2 itime 657494
itsplit 1
- acceleration/energy drift too large 8.27897556634581
- 28.9498553585017 split increased to 2 itime 659113
+ acceleration/energy drift too large 3.02450301806804
+ 16.5688272440621 split increased to 4 itime 657494
+ itsplit 2
+ acceleration/energy drift too large 4.78609451007503
+ 24.3549324795919 split increased to 2 itime 657955
itsplit 1
- acceleration/energy drift too large 7.00380638501306
- 13.8385729146048 split increased to 2 itime 659114
+ acceleration/energy drift too large 2.24852693223516
+ 12.8599563208415 split increased to 2 itime 658204
+ itsplit 1
+ acceleration/energy drift too large 5.04555179752892
+ 21.5232797057494 split increased to 2 itime 658972
+ itsplit 1
+ acceleration/energy drift too large 5.28370556622501
+ 19.4610384518756 split increased to 2 itime 659044
+ itsplit 1
+ acceleration/energy drift too large 3.83120712320267
+ 11.0106971552591 split increased to 2 itime 659865
itsplit 1
Velocities reset to random values, time 131999.80
- acceleration/energy drift too large 9.04740683117041
- 37.3340509655439 split increased to 2 itime 662205
+ acceleration/energy drift too large 4.50608191118794
+ 13.2702631021495 split increased to 2 itime 660612
+ itsplit 1
+ acceleration/energy drift too large 3.78467051913421
+ 13.0475094161357 split increased to 2 itime 661570
+ itsplit 1
+ acceleration/energy drift too large 9.07175173262545
+ 31.9959670190331 split increased to 2 itime 662188
itsplit 1
- acceleration/energy drift too large 2.28466638719765
- 10.9504007097213 split increased to 2 itime 663404
+ acceleration/energy drift too large 5.36082918320779
+ 12.4630100461443 split increased to 2 itime 663507
itsplit 1
- acceleration/energy drift too large 3.49268168947069
- 22.4337466261792 split increased to 2 itime 669065
+ acceleration/energy drift too large 4.99639757953075
+ 15.9066355649835 split increased to 2 itime 664749
itsplit 1
- acceleration/energy drift too large 4.74677145548803
- 10.0206669110923 split increased to 2 itime 669107
+ acceleration/energy drift too large 2.39213997817477
+ 18.1637785135747 split increased to 2 itime 668643
+ itsplit 1
+ acceleration/energy drift too large 6.47475213155957
+ 21.2130538748616 split increased to 2 itime 668848
itsplit 1
Velocities reset to random values, time 133999.80
- acceleration/energy drift too large 8.63670211951346
- 31.6414303188186 split increased to 2 itime 670188
+ acceleration/energy drift too large 6.43757618167361
+ 12.0059434634429 split increased to 2 itime 671951
itsplit 1
- acceleration/energy drift too large 3.06371394467724
- 13.1372365211317 split increased to 2 itime 673766
+ acceleration/energy drift too large 2.08484455615955
+ 11.2213110560434 split increased to 2 itime 673738
itsplit 1
- acceleration/energy drift too large 2.23576210479992
- 13.9040788015118 split increased to 2 itime 675621
+ acceleration/energy drift too large 5.72607749941730
+ 37.7145234283330 split increased to 2 itime 678251
itsplit 1
- acceleration/energy drift too large 2.99087055932100
- 26.2529026820693 split increased to 2 itime 679290
+ acceleration/energy drift too large 6.40262729575667
+ 25.7191334185357 split increased to 2 itime 679585
itsplit 1
Velocities reset to random values, time 135999.80
- acceleration/energy drift too large 4.09557984425410
- 13.9330473295296 split increased to 2 itime 681179
+ acceleration/energy drift too large 13.4028575204491
+ 80.5140346375108 split increased to 2 itime 680555
itsplit 1
- acceleration/energy drift too large 1.91622118208430
- 11.1703559507126 split increased to 2 itime 681446
+ acceleration/energy drift too large 5.29533863701241
+ 18.4693222302732 split increased to 2 itime 681889
itsplit 1
- acceleration/energy drift too large 4.57705061173539
- 14.3664376808430 split increased to 2 itime 683924
+ acceleration/energy drift too large 1.62890981550056
+ 15.9709216457443 split increased to 2 itime 682284
itsplit 1
- acceleration/energy drift too large 1.97249654562396
- 11.7923083838066 split increased to 2 itime 684384
+ acceleration/energy drift too large 6.48378842694110
+ 18.1414213363773 split increased to 2 itime 683711
itsplit 1
- acceleration/energy drift too large 8.12680825839594
- 28.9666812627199 split increased to 2 itime 686146
+ acceleration/energy drift too large 2.80883760847397
+ 11.5542257950960 split increased to 2 itime 683904
itsplit 1
- acceleration/energy drift too large 2.55427706453296
- 12.6494709608410 split increased to 2 itime 687873
+ acceleration/energy drift too large 2.86887988513499
+ 15.7334171694202 split increased to 2 itime 685027
itsplit 1
-Velocities reset to random values, time 137999.80
- acceleration/energy drift too large 6.94426503016089
- 15.8636716111209 split increased to 2 itime 694392
+ acceleration/energy drift too large 5.24034324355919
+ 19.3308059467827 split increased to 2 itime 686490
+ itsplit 1
+ acceleration/energy drift too large 7.54715143270644
+ 22.0945207786007 split increased to 2 itime 687295
+ itsplit 1
+ acceleration/energy drift too large 6.76224455777162
+ 30.9424397639613 split increased to 2 itime 688058
itsplit 1
- acceleration/energy drift too large 1.96500965362388
- 10.0876678873697 split increased to 2 itime 694453
+ acceleration/energy drift too large 5.84240204955811
+ 16.2279250280224 split increased to 2 itime 689146
itsplit 1
- acceleration/energy drift too large 6.23971174452310
- 25.9235606230153 split increased to 2 itime 695525
+ acceleration/energy drift too large 5.57982284762158
+ 14.9515643445569 split increased to 2 itime 689166
itsplit 1
- acceleration/energy drift too large 3.08163056884440
- 10.4342316046758 split increased to 2 itime 695538
+Velocities reset to random values, time 137999.80
+ acceleration/energy drift too large 5.79240883356486
+ 22.9082874457296 split increased to 2 itime 690261
+ itsplit 1
+ acceleration/energy drift too large 3.65368907968053
+ 10.1354307155059 split increased to 2 itime 694937
itsplit 1
- acceleration/energy drift too large 2.85200186719036
- 18.5322970868536 split increased to 2 itime 696398
+ acceleration/energy drift too large 9.57109038854307
+ 42.2958073417374 split increased to 2 itime 695563
itsplit 1
- acceleration/energy drift too large 4.24654882251796
- 11.4185391289499 split increased to 2 itime 696636
+ acceleration/energy drift too large 5.54423707218960
+ 15.0740432856712 split increased to 2 itime 695995
itsplit 1
- acceleration/energy drift too large 4.73215626921589
- 10.2289063105993 split increased to 2 itime 697462
+ acceleration/energy drift too large 1.95236451164645
+ 10.7120471320801 split increased to 2 itime 696147
itsplit 1
- acceleration/energy drift too large 1.78165399756171
- 13.6183408477237 split increased to 2 itime 697687
+ acceleration/energy drift too large 2.85995344495863
+ 14.0226812455308 split increased to 2 itime 696211
itsplit 1
- acceleration/energy drift too large 4.28691596829781
- 13.3737144603561 split increased to 2 itime 699027
+ acceleration/energy drift too large 6.36831125441389
+ 24.1401286131266 split increased to 2 itime 698676
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 290.355468750000 0.000000000000000E+000
+ REMD gather times= 249.984375000000 0.000000000000000E+000
REMD writing rst time= 0.000000000000000E+000
- REMD writing traj time= 3.906250000000000E-003
+ REMD writing traj time= 0.000000000000000E+000
NREP 16
-ACC 1 250.00000 0.42857 7
-ACC 2 260.00000 0.28571 7
-ACC 3 270.00000 0.42857 7
-ACC 4 280.00000 0.28571 7
+ACC 1 250.00000 0.57143 7
+ACC 2 260.00000 0.42857 7
+ACC 3 270.00000 0.57143 7
+ACC 4 280.00000 0.85714 7
ACC 5 290.00000 0.42857 7
-ACC 6 300.00000 0.57143 7
+ACC 6 300.00000 0.28571 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 1.00000 7
-ACC 13 370.00000 0.85714 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 3.93472960083245
- 11.2063367947762 split increased to 2 itime 700377
+ REMD exchange time= 0.000000000000000E+000
+ acceleration/energy drift too large 5.93046557857084
+ 16.3488706656561 split increased to 2 itime 701195
itsplit 1
- acceleration/energy drift too large 4.34428093560174
- 11.5481687411087 split increased to 2 itime 701134
+ acceleration/energy drift too large 3.50228415343861
+ 12.2000170250801 split increased to 2 itime 701599
itsplit 1
- acceleration/energy drift too large 5.82641569686656
- 17.5363966801220 split increased to 2 itime 701580
+ acceleration/energy drift too large 4.44789216261540
+ 14.5099923312658 split increased to 2 itime 701866
itsplit 1
- acceleration/energy drift too large 4.74069265554034
- 12.5834635520145 split increased to 2 itime 702405
+ acceleration/energy drift too large 4.91055640990175
+ 11.7132368545146 split increased to 2 itime 703068
itsplit 1
- acceleration/energy drift too large 7.48848976579949
- 17.8288178141337 split increased to 2 itime 703489
+ acceleration/energy drift too large 3.11103569262104
+ 22.7165834144515 split increased to 2 itime 705470
itsplit 1
- acceleration/energy drift too large 2.73600511314082
- 12.6577490393069 split increased to 2 itime 705695
+ acceleration/energy drift too large 4.93839845358181
+ 12.0395323817780 split increased to 2 itime 705976
itsplit 1
- acceleration/energy drift too large 3.65119124475916
- 28.8921547736879 split increased to 2 itime 705807
+ acceleration/energy drift too large 1.57721662347655
+ 10.1545836049306 split increased to 2 itime 705977
itsplit 1
- acceleration/energy drift too large 4.98157476772346
- 23.0666844208626 split increased to 2 itime 706670
+ acceleration/energy drift too large 6.46586444120768
+ 17.7781290280736 split increased to 2 itime 706320
itsplit 1
- acceleration/energy drift too large 2.90355209805173
- 19.9868379888575 split increased to 2 itime 709441
+ acceleration/energy drift too large 7.34894580941251
+ 12.6660014519554 split increased to 2 itime 706452
itsplit 1
- acceleration/energy drift too large 6.34791227156518
- 13.6682906605570 split increased to 2 itime 709710
+ acceleration/energy drift too large 5.36894291194152
+ 14.6923322488453 split increased to 2 itime 706542
itsplit 1
- acceleration/energy drift too large 8.50503282573082
- 14.4688770915652 split increased to 2 itime 709952
- itsplit 1
- acceleration/energy drift too large 7.05888230745372
- 15.5270078331849 split increased to 2 itime 709983
- itsplit 1
- acceleration/energy drift too large 4.33375557263005
- 11.6208763934395 split increased to 2 itime 709985
- itsplit 1
- acceleration/energy drift too large 8.77636154693241
- 16.6451507405149 split increased to 2 itime 709995
+ acceleration/energy drift too large 11.5020201779919
+ 53.9345839409072 split increased to 2 itime 706636
itsplit 1
Velocities reset to random values, time 141999.80
- acceleration/energy drift too large 5.29487453182966
- 15.2837475649310 split increased to 2 itime 711927
+ acceleration/energy drift too large 2.83749699541512
+ 10.3434991784070 split increased to 2 itime 710296
+ itsplit 1
+ acceleration/energy drift too large 4.40216800100225
+ 13.8248237713886 split increased to 2 itime 710571
itsplit 1
- acceleration/energy drift too large 1.61408951237361
- 11.8179425920718 split increased to 2 itime 713638
+ acceleration/energy drift too large 11.2796727547930
+ 50.3063498934622 split increased to 2 itime 714074
itsplit 1
- acceleration/energy drift too large 6.53144087097745
- 18.2881450731301 split increased to 2 itime 715625
+ acceleration/energy drift too large 2.64222690743023
+ 11.3557114830580 split increased to 4 itime 714074
+ itsplit 2
+ acceleration/energy drift too large 9.06933096115893
+ 37.1396934478744 split increased to 2 itime 714238
itsplit 1
- acceleration/energy drift too large 4.98297102709200
- 12.3967526538540 split increased to 2 itime 715885
+ acceleration/energy drift too large 12.5417898911728
+ 79.8295069540954 split increased to 2 itime 716120
itsplit 1
- acceleration/energy drift too large 6.61458692229760
- 25.0642180809315 split increased to 2 itime 717707
+ acceleration/energy drift too large 7.42895763687695
+ 20.9106037784401 split increased to 2 itime 718995
itsplit 1
- acceleration/energy drift too large 7.88661909821306
- 18.9512365014740 split increased to 2 itime 719072
+ acceleration/energy drift too large 4.62996709129260
+ 13.2403727277877 split increased to 2 itime 719117
itsplit 1
- acceleration/energy drift too large 2.96965421226421
- 11.6573800263961 split increased to 2 itime 719847
+ acceleration/energy drift too large 6.88408541110256
+ 26.4196183863944 split increased to 2 itime 719357
itsplit 1
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 6.29605706141192
- 19.3975354963952 split increased to 2 itime 725117
+ acceleration/energy drift too large 7.79663987450929
+ 15.8614919998636 split increased to 2 itime 720948
itsplit 1
- acceleration/energy drift too large 6.87534575421433
- 14.2132924198026 split increased to 2 itime 725199
+ acceleration/energy drift too large 5.46634544860701
+ 17.6569277587810 split increased to 2 itime 722021
itsplit 1
- acceleration/energy drift too large 7.93503479211159
- 10.1457532084715 split increased to 2 itime 726782
+ acceleration/energy drift too large 2.96765526152086
+ 17.2559643691889 split increased to 2 itime 723101
itsplit 1
- acceleration/energy drift too large 5.73106854706756
- 11.9473961093287 split increased to 2 itime 727155
+ acceleration/energy drift too large 6.91025846743838
+ 24.6615251936640 split increased to 2 itime 723503
itsplit 1
- acceleration/energy drift too large 5.86881620959184
- 16.2956370169348 split increased to 2 itime 727783
+ acceleration/energy drift too large 5.82248602990239
+ 15.9572486017575 split increased to 2 itime 726344
itsplit 1
Velocities reset to random values, time 145999.80
- acceleration/energy drift too large 5.68155995086396
- 12.8716171152305 split increased to 2 itime 733764
+ acceleration/energy drift too large 5.60281773307065
+ 11.6053841486984 split increased to 2 itime 732145
itsplit 1
- acceleration/energy drift too large 5.89637655810470
- 22.4585358032075 split increased to 2 itime 734317
+ acceleration/energy drift too large 7.98335131094130
+ 41.8976646011784 split increased to 2 itime 732679
itsplit 1
- acceleration/energy drift too large 4.38946697000217
- 13.2992698589204 split increased to 2 itime 735481
+ acceleration/energy drift too large 8.08372147779232
+ 24.4266913073025 split increased to 2 itime 733171
itsplit 1
- acceleration/energy drift too large 2.54784871949555
- 17.4560434088089 split increased to 2 itime 735610
+ acceleration/energy drift too large 7.49109943717629
+ 24.0926497795650 split increased to 2 itime 736182
itsplit 1
- acceleration/energy drift too large 7.75177241787974
- 25.5505449219941 split increased to 2 itime 735611
+ acceleration/energy drift too large 2.32064356333335
+ 14.8150740793836 split increased to 2 itime 736183
itsplit 1
-Velocities reset to random values, time 147999.80
- acceleration/energy drift too large 7.72491739431766
- 35.0724632154724 split increased to 2 itime 740185
+ acceleration/energy drift too large 4.49997484570044
+ 10.3979695338111 split increased to 2 itime 736348
itsplit 1
- acceleration/energy drift too large 2.77675944803162
- 17.4632744496337 split increased to 2 itime 743430
+ acceleration/energy drift too large 3.62623216895727
+ 27.8715915625501 split increased to 2 itime 736481
itsplit 1
- acceleration/energy drift too large 2.71439396112492
- 12.0497533900353 split increased to 2 itime 743461
+ acceleration/energy drift too large 6.80986751447928
+ 23.8303442332054 split increased to 2 itime 736740
itsplit 1
- acceleration/energy drift too large 4.33665903249174
- 10.0862823369909 split increased to 2 itime 743482
+ acceleration/energy drift too large 4.12820614194935
+ 12.8362039200978 split increased to 2 itime 737227
itsplit 1
- acceleration/energy drift too large 2.18579483653158
- 18.0426516663185 split increased to 2 itime 744188
+ acceleration/energy drift too large 5.48776665622207
+ 27.6090497566700 split increased to 2 itime 738655
itsplit 1
- acceleration/energy drift too large 8.43338489883138
- 48.6453076961397 split increased to 2 itime 744649
+ acceleration/energy drift too large 7.10004362034608
+ 33.0982203426756 split increased to 2 itime 739757
itsplit 1
- acceleration/energy drift too large 6.60414762543752
- 18.8221701651620 split increased to 2 itime 744960
+Velocities reset to random values, time 147999.80
+ acceleration/energy drift too large 2.22834573912179
+ 15.3278299811857 split increased to 2 itime 741497
itsplit 1
- acceleration/energy drift too large 6.82388857970415
- 16.7034708258202 split increased to 2 itime 747389
+ acceleration/energy drift too large 7.08435491493409
+ 11.4498642303261 split increased to 2 itime 743383
itsplit 1
- acceleration/energy drift too large 4.24577791377603
- 11.7151816091767 split increased to 2 itime 748125
+ acceleration/energy drift too large 7.37342604084222
+ 21.8994225640830 split increased to 2 itime 745235
itsplit 1
-Velocities reset to random values, time 149999.80
- acceleration/energy drift too large 14.2580341642123
- 68.0425850143622 split increased to 2 itime 750036
+ acceleration/energy drift too large 7.88187630828904
+ 20.9697038741962 split increased to 2 itime 747472
itsplit 1
- acceleration/energy drift too large 1.37734718709133
- 12.3715433735723 split increased to 2 itime 750098
+ acceleration/energy drift too large 4.99924407470474
+ 16.8009268890310 split increased to 2 itime 747618
itsplit 1
- acceleration/energy drift too large 2.14819944339201
- 19.0503035730486 split increased to 2 itime 751906
+ acceleration/energy drift too large 7.19731074318911
+ 30.3208788285892 split increased to 2 itime 748217
itsplit 1
- acceleration/energy drift too large 5.83489678404588
- 17.2629224217329 split increased to 2 itime 752662
+Velocities reset to random values, time 149999.80
+ acceleration/energy drift too large 2.87860232607083
+ 19.1645526288885 split increased to 2 itime 751538
itsplit 1
- acceleration/energy drift too large 2.23243631458889
- 10.8104764541568 split increased to 2 itime 753797
+ acceleration/energy drift too large 5.13559769815624
+ 16.5159686555505 split increased to 2 itime 753584
itsplit 1
- acceleration/energy drift too large 5.09947780824544
- 13.4010978902820 split increased to 2 itime 754466
+ acceleration/energy drift too large 2.27632149203717
+ 11.9349661851980 split increased to 2 itime 754101
itsplit 1
- acceleration/energy drift too large 5.07879120725615
- 12.2359838318543 split increased to 2 itime 755875
+ acceleration/energy drift too large 10.3945093500895
+ 49.3330792084864 split increased to 2 itime 754497
itsplit 1
- acceleration/energy drift too large 8.95906921437676
- 34.9324559384845 split increased to 2 itime 756505
+ acceleration/energy drift too large 4.06954673546619
+ 12.1543456759703 split increased to 2 itime 757882
itsplit 1
- acceleration/energy drift too large 3.92969734770630
- 13.2801363309280 split increased to 2 itime 757695
+ acceleration/energy drift too large 3.20304100491877
+ 23.7855130860363 split increased to 2 itime 758147
itsplit 1
- acceleration/energy drift too large 12.1286059623756
- 69.3661231273822 split increased to 2 itime 758473
+ acceleration/energy drift too large 13.1319230131996
+ 72.4493522697793 split increased to 2 itime 759378
itsplit 1
Velocities reset to random values, time 151999.80
- acceleration/energy drift too large 2.38956194335038
- 13.4824251234111 split increased to 2 itime 761283
+ acceleration/energy drift too large 6.01986125466816
+ 10.4930536375245 split increased to 2 itime 760753
+ itsplit 1
+ acceleration/energy drift too large 6.27432720710977
+ 33.2394644755370 split increased to 2 itime 763709
itsplit 1
- acceleration/energy drift too large 6.71335589701264
- 29.9995440804558 split increased to 2 itime 761313
+ acceleration/energy drift too large 3.44887929408789
+ 10.4893825875809 split increased to 2 itime 763765
itsplit 1
- acceleration/energy drift too large 2.60381034694572
- 19.8174050912151 split increased to 2 itime 761367
+ acceleration/energy drift too large 4.38522760747253
+ 10.4384977574232 split increased to 2 itime 766106
itsplit 1
- acceleration/energy drift too large 5.35912210985763
- 11.5704300826650 split increased to 2 itime 761377
+ acceleration/energy drift too large 6.73459105727101
+ 19.5588031108727 split increased to 2 itime 766401
itsplit 1
- acceleration/energy drift too large 7.02612688452159
- 24.2981219904154 split increased to 2 itime 761640
+ acceleration/energy drift too large 4.78507083844614
+ 16.1478873743693 split increased to 2 itime 767098
itsplit 1
- acceleration/energy drift too large 3.30210232429247
- 21.0520994855872 split increased to 2 itime 762305
+ acceleration/energy drift too large 4.38346008853357
+ 11.4290894558621 split increased to 2 itime 767548
itsplit 1
- acceleration/energy drift too large 5.70974440002933
- 12.6434879020145 split increased to 2 itime 765075
+ acceleration/energy drift too large 3.56093353695383
+ 14.8397172304161 split increased to 2 itime 767869
itsplit 1
- acceleration/energy drift too large 2.91805930866349
- 10.2705170089242 split increased to 2 itime 766754
+ acceleration/energy drift too large 6.32679076878958
+ 23.4911514270911 split increased to 2 itime 768997
itsplit 1
- acceleration/energy drift too large 3.87827711722365
- 10.3833855869453 split increased to 2 itime 768017
+ acceleration/energy drift too large 2.85058721651810
+ 20.3719477641668 split increased to 2 itime 769401
itsplit 1
Velocities reset to random values, time 153999.80
- acceleration/energy drift too large 7.23304735491319
- 19.5503566674271 split increased to 2 itime 777319
+ acceleration/energy drift too large 4.71517684080138
+ 18.4888930476362 split increased to 2 itime 770039
+ itsplit 1
+ acceleration/energy drift too large 4.50946914456197
+ 10.8304126585485 split increased to 2 itime 770352
+ itsplit 1
+ acceleration/energy drift too large 4.17783679213027
+ 10.1280553343560 split increased to 2 itime 771324
itsplit 1
- acceleration/energy drift too large 7.49808799816246
- 17.5046224532120 split increased to 2 itime 778011
+ acceleration/energy drift too large 5.53737373877983
+ 17.4545145176496 split increased to 2 itime 771995
itsplit 1
- acceleration/energy drift too large 5.42546312700277
- 22.2799165999441 split increased to 2 itime 778696
+ acceleration/energy drift too large 6.39346038396757
+ 15.4648440595333 split increased to 2 itime 772323
itsplit 1
- acceleration/energy drift too large 5.29167669695716
- 17.9690397516625 split increased to 2 itime 778773
+ acceleration/energy drift too large 4.60129015404501
+ 16.3203786684519 split increased to 2 itime 772498
+ itsplit 1
+ acceleration/energy drift too large 5.04968718758489
+ 17.1768851479124 split increased to 2 itime 775081
+ itsplit 1
+ acceleration/energy drift too large 3.92091671455242
+ 10.6455797535465 split increased to 2 itime 776480
+ itsplit 1
+ acceleration/energy drift too large 6.86012390966314
+ 23.9838314953939 split increased to 2 itime 776824
+ itsplit 1
+ acceleration/energy drift too large 6.16267864349347
+ 25.5827788364359 split increased to 2 itime 778759
+ itsplit 1
+ acceleration/energy drift too large 2.93814449663803
+ 18.3435346351630 split increased to 2 itime 778919
+ itsplit 1
+ acceleration/energy drift too large 5.83622716057804
+ 15.7742731520468 split increased to 2 itime 778959
+ itsplit 1
+ acceleration/energy drift too large 7.67398664716389
+ 13.5060116768786 split increased to 2 itime 779750
itsplit 1
Velocities reset to random values, time 155999.80
- acceleration/energy drift too large 3.80278396587570
- 10.2057167982440 split increased to 2 itime 780340
+ acceleration/energy drift too large 4.85804512921091
+ 11.5631447667968 split increased to 2 itime 780304
itsplit 1
- acceleration/energy drift too large 5.77447244578019
- 17.7661299519136 split increased to 2 itime 781365
+ acceleration/energy drift too large 4.45594582280389
+ 17.5306664891085 split increased to 2 itime 780333
itsplit 1
- acceleration/energy drift too large 7.31269052253176
- 19.7831445138354 split increased to 2 itime 781492
+ acceleration/energy drift too large 4.44276794470482
+ 10.0257180285181 split increased to 2 itime 780448
itsplit 1
- acceleration/energy drift too large 4.31697423507348
- 11.9400262614120 split increased to 2 itime 781824
+ acceleration/energy drift too large 4.24605527797729
+ 14.3572375009239 split increased to 2 itime 780850
itsplit 1
- acceleration/energy drift too large 0.347356432252640
- 10.1932673423635 split increased to 2 itime 781825
+ acceleration/energy drift too large 2.84040242431037
+ 16.7586098786126 split increased to 2 itime 781512
itsplit 1
- acceleration/energy drift too large 5.14786144935377
- 11.0889243004452 split increased to 2 itime 783548
+ acceleration/energy drift too large 5.88078597927656
+ 17.1693892574872 split increased to 2 itime 783895
itsplit 1
- acceleration/energy drift too large 2.41326108064900
- 11.8803050399384 split increased to 4 itime 783548
+ acceleration/energy drift too large 4.64799726459311
+ 12.5965473279487 split increased to 2 itime 784609
itsplit 1
- acceleration/energy drift too large 7.38892019473086
- 25.3696073905825 split increased to 2 itime 784069
+ acceleration/energy drift too large 7.49617834646005
+ 20.0903113588697 split increased to 2 itime 784891
itsplit 1
- acceleration/energy drift too large 3.45160411183108
- 12.3357234331473 split increased to 2 itime 786092
+ acceleration/energy drift too large 2.36895390494312
+ 10.3895892928064 split increased to 2 itime 784900
itsplit 1
- acceleration/energy drift too large 4.44535111718529
- 20.2183669461845 split increased to 2 itime 786385
+ acceleration/energy drift too large 5.74710328002566
+ 18.2734552699177 split increased to 2 itime 787625
itsplit 1
- acceleration/energy drift too large 5.96001230229975
- 26.7635877251907 split increased to 2 itime 787503
+ acceleration/energy drift too large 4.27525173857317
+ 11.8800720194965 split increased to 2 itime 788385
+ itsplit 1
+ acceleration/energy drift too large 2.44187443065912
+ 21.3424294945298 split increased to 2 itime 788427
itsplit 1
Velocities reset to random values, time 157999.80
- acceleration/energy drift too large 5.23548359761978
- 17.9114640456567 split increased to 2 itime 790651
+ acceleration/energy drift too large 5.06628610509479
+ 19.4870647563858 split increased to 2 itime 790296
+ itsplit 1
+ acceleration/energy drift too large 3.33651836294132
+ 20.1179656016631 split increased to 2 itime 791097
itsplit 1
- acceleration/energy drift too large 5.19874131998921
- 20.8276389678619 split increased to 2 itime 791576
+ acceleration/energy drift too large 1.88565251614108
+ 11.4025097324082 split increased to 2 itime 791682
itsplit 1
- acceleration/energy drift too large 2.27027156472139
- 14.2373773395271 split increased to 2 itime 791720
+ acceleration/energy drift too large 7.41937722143516
+ 26.4336335028364 split increased to 2 itime 792827
itsplit 1
- acceleration/energy drift too large 4.21481357532670
- 10.5182673748253 split increased to 2 itime 792410
+ acceleration/energy drift too large 11.4734442294536
+ 55.0654793475296 split increased to 2 itime 795270
itsplit 1
- acceleration/energy drift too large 9.62747663514687
- 33.2828624009179 split increased to 2 itime 793407
+ acceleration/energy drift too large 5.15454508658223
+ 10.5510612909391 split increased to 2 itime 797107
itsplit 1
- acceleration/energy drift too large 6.08595268147392
- 17.2183956122480 split increased to 2 itime 793762
+ acceleration/energy drift too large 5.16390363252534
+ 12.6191535520128 split increased to 2 itime 797896
itsplit 1
- acceleration/energy drift too large 2.33187635002060
- 17.2973581161712 split increased to 2 itime 793846
+ acceleration/energy drift too large 10.9556896542559
+ 66.3975354544561 split increased to 2 itime 798567
itsplit 1
- acceleration/energy drift too large 3.76374231425319
- 11.0863475859656 split increased to 2 itime 797548
+ acceleration/energy drift too large 5.40918233810329
+ 10.9964018365213 split increased to 2 itime 799427
itsplit 1
+ acceleration/energy drift too large 12.4013640466110
+ 54.5241516641713 split increased to 2 itime 799822
+ itsplit 1
+ acceleration/energy drift too large 2.87214042860057
+ 12.4642037907085 split increased to 4 itime 799822
+ itsplit 2
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 331.621093750000 0.000000000000000E+000
+ REMD gather times= 285.488281250000 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 8
-ACC 2 260.00000 0.25000 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 0.75000 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 0.87500 8
-ACC 13 370.00000 0.87500 8
-ACC 14 380.00000 0.75000 8
-ACC 15 390.00000 1.00000 8
+ACC 1 250.00000 0.62500 8
+ACC 2 260.00000 0.50000 8
+ACC 3 270.00000 0.50000 8
+ACC 4 280.00000 0.87500 8
+ACC 5 290.00000 0.50000 8
+ACC 6 300.00000 0.25000 8
+ACC 7 310.00000 0.62500 8
REMD scatter time= 0.000000000000000E+000
REMD exchange time= 3.906250000000000E-003
- acceleration/energy drift too large 4.08408958740091
- 12.4488236775417 split increased to 2 itime 800440
+ acceleration/energy drift too large 6.38982616538168
+ 14.0111080703752 split increased to 2 itime 800101
itsplit 1
- acceleration/energy drift too large 3.12351915924261
- 11.5479193458302 split increased to 2 itime 801256
+ acceleration/energy drift too large 4.14027589595500
+ 11.4170555687485 split increased to 2 itime 800790
itsplit 1
- acceleration/energy drift too large 4.76765323789805
- 13.7971758966707 split increased to 2 itime 802194
+ acceleration/energy drift too large 9.20840581119302
+ 42.4300210835148 split increased to 2 itime 802023
itsplit 1
- acceleration/energy drift too large 7.19336682379580
- 16.4374505373611 split increased to 2 itime 805507
+ acceleration/energy drift too large 2.71108520880328
+ 17.5466825246406 split increased to 2 itime 803601
itsplit 1
- acceleration/energy drift too large 4.20944490114535
- 12.6537934545908 split increased to 2 itime 805689
+ acceleration/energy drift too large 2.91997608530412
+ 16.5729129673690 split increased to 2 itime 806567
itsplit 1
- acceleration/energy drift too large 3.45858800382427
- 10.2880432515098 split increased to 2 itime 806028
+ acceleration/energy drift too large 3.68606668257559
+ 10.9362083879882 split increased to 2 itime 806577
itsplit 1
- acceleration/energy drift too large 5.66476398431336
- 15.1302639260121 split increased to 2 itime 808305
+ acceleration/energy drift too large 5.38063545727392
+ 13.0147643904552 split increased to 2 itime 807011
itsplit 1
-Velocities reset to random values, time 161999.80
- acceleration/energy drift too large 6.47200256263873
- 28.7184629958246 split increased to 2 itime 811039
+ acceleration/energy drift too large 4.86595853979309
+ 11.0143840216691 split increased to 2 itime 809108
itsplit 1
- acceleration/energy drift too large 2.44388243700491
- 10.5618779643494 split increased to 2 itime 811771
+Velocities reset to random values, time 161999.80
+ acceleration/energy drift too large 4.97656218622521
+ 18.7139462518978 split increased to 2 itime 810046
itsplit 1
- acceleration/energy drift too large 5.08529166998655
- 24.3663441062480 split increased to 2 itime 813193
+ acceleration/energy drift too large 2.80071335902289
+ 19.1098244029923 split increased to 2 itime 816741
itsplit 1
- acceleration/energy drift too large 7.33571159855923
- 35.3725925031465 split increased to 2 itime 814982
+ acceleration/energy drift too large 1.57171853933185
+ 14.7874296786375 split increased to 2 itime 819053
itsplit 1
- acceleration/energy drift too large 7.68404272134721
- 30.3237702470528 split increased to 2 itime 816982
+Velocities reset to random values, time 163999.80
+ acceleration/energy drift too large 4.83593381802535
+ 11.4299473572968 split increased to 2 itime 821082
itsplit 1
- acceleration/energy drift too large 5.10313454590048
- 17.4921742589240 split increased to 2 itime 818234
+ acceleration/energy drift too large 4.82642498526119
+ 13.4220251557056 split increased to 2 itime 822588
itsplit 1
- acceleration/energy drift too large 7.98675736437558
- 30.5755774648578 split increased to 2 itime 819621
+ acceleration/energy drift too large 4.86338868862978
+ 11.7045852636132 split increased to 2 itime 822763
itsplit 1
-Velocities reset to random values, time 163999.80
- acceleration/energy drift too large 4.78054324272918
- 11.1824332632478 split increased to 2 itime 820402
+ acceleration/energy drift too large 3.70728698019442
+ 11.5748493847335 split increased to 2 itime 823413
itsplit 1
- acceleration/energy drift too large 3.26038963959499
- 20.2185218874292 split increased to 2 itime 823803
+ acceleration/energy drift too large 3.95295212335654
+ 12.1103454586233 split increased to 2 itime 826156
itsplit 1
- acceleration/energy drift too large 5.82700272401535
- 22.2969032965753 split increased to 2 itime 829456
+ acceleration/energy drift too large 4.84025202063181
+ 20.7429200825696 split increased to 2 itime 826432
itsplit 1
Velocities reset to random values, time 165999.80
- acceleration/energy drift too large 4.33818208044453
- 15.7830111180855 split increased to 2 itime 830418
+ acceleration/energy drift too large 5.13882882159655
+ 20.4967449360619 split increased to 2 itime 830695
itsplit 1
-Velocities reset to random values, time 167999.80
- acceleration/energy drift too large 9.41834978888285
- 39.7753471470065 split increased to 2 itime 840511
+ acceleration/energy drift too large 5.27825612684845
+ 28.7806468475984 split increased to 2 itime 833316
itsplit 1
- acceleration/energy drift too large 5.54357869442185
- 13.7753319393231 split increased to 2 itime 844045
+ acceleration/energy drift too large 6.20814391914971
+ 29.6061899268495 split increased to 2 itime 833963
itsplit 1
- acceleration/energy drift too large 8.78253291842823
- 37.1617187185735 split increased to 2 itime 844750
+ acceleration/energy drift too large 2.70773071318708
+ 15.5069987555061 split increased to 2 itime 837774
itsplit 1
- acceleration/energy drift too large 7.71858191080219
- 23.5136351225193 split increased to 2 itime 846405
+ acceleration/energy drift too large 4.03149984931755
+ 10.0656102731350 split increased to 2 itime 839443
itsplit 1
- acceleration/energy drift too large 4.43034239515480
- 11.7919290417298 split increased to 2 itime 847840
+ acceleration/energy drift too large 5.64345675065509
+ 21.8247880007059 split increased to 2 itime 839681
itsplit 1
- acceleration/energy drift too large 8.87599084665895
- 21.5493505821429 split increased to 2 itime 848352
+Velocities reset to random values, time 167999.80
+ acceleration/energy drift too large 4.69132067408565
+ 10.8783809110459 split increased to 2 itime 841354
itsplit 1
-Velocities reset to random values, time 169999.80
- acceleration/energy drift too large 8.43703375440349
- 26.1111376703467 split increased to 2 itime 850260
+ acceleration/energy drift too large 4.95512230447669
+ 12.8120527542717 split increased to 2 itime 842814
itsplit 1
- acceleration/energy drift too large 2.41637898959447
- 11.9496115966891 split increased to 4 itime 850260
+ acceleration/energy drift too large 2.49929373087501
+ 13.1164599253656 split increased to 2 itime 846183
itsplit 1
- acceleration/energy drift too large 3.65410582160430
- 28.9337075120477 split increased to 2 itime 857936
+ acceleration/energy drift too large 4.02589639117982
+ 10.0187602662072 split increased to 2 itime 846809
itsplit 1
- acceleration/energy drift too large 6.38002562341255
- 20.5163193214104 split increased to 2 itime 857970
+ acceleration/energy drift too large 6.28134978186297
+ 15.0563320815804 split increased to 2 itime 847881
itsplit 1
- acceleration/energy drift too large 3.03941011527822
- 12.5754059523026 split increased to 2 itime 858903
+ acceleration/energy drift too large 5.90885364444279
+ 15.5103421149442 split increased to 2 itime 847935
itsplit 1
-Velocities reset to random values, time 171999.80
- acceleration/energy drift too large 5.09869595999513
- 17.2023674029247 split increased to 2 itime 861988
+ acceleration/energy drift too large 2.89407661922939
+ 23.7470580752899 split increased to 2 itime 848002
itsplit 1
- acceleration/energy drift too large 3.16529716885340
- 22.3504973180927 split increased to 2 itime 863263
+Velocities reset to random values, time 169999.80
+ acceleration/energy drift too large 2.20847104732558
+ 14.9938466618668 split increased to 2 itime 851316
itsplit 1
- acceleration/energy drift too large 3.94815827368737
- 20.9389938660938 split increased to 2 itime 868128
+ acceleration/energy drift too large 9.29819509824809
+ 36.8466541613356 split increased to 2 itime 852161
itsplit 1
- acceleration/energy drift too large 2.82813693077582
- 10.0201144432299 split increased to 2 itime 868161
+ acceleration/energy drift too large 5.34608327107558
+ 12.2267249729833 split increased to 2 itime 852367
itsplit 1
- acceleration/energy drift too large 2.97370644372922
- 14.7588956752508 split increased to 2 itime 868183
+ acceleration/energy drift too large 7.74669942262979
+ 23.1114195705199 split increased to 2 itime 852885
itsplit 1
- acceleration/energy drift too large 3.96390719236278
- 15.7313795279113 split increased to 2 itime 868491
+ acceleration/energy drift too large 4.48160873110114
+ 11.4985883221532 split increased to 2 itime 854469
itsplit 1
- acceleration/energy drift too large 4.49057827341746
- 12.2101803942524 split increased to 2 itime 868802
+ acceleration/energy drift too large 4.33453883577452
+ 12.0646422977711 split increased to 2 itime 859985
itsplit 1
- acceleration/energy drift too large 4.62268156797011
- 20.3048498331502 split increased to 2 itime 868857
+ acceleration/energy drift too large 5.75094004222132
+ 16.7079862095291 split increased to 2 itime 859991
itsplit 1
- acceleration/energy drift too large 2.82758781325957
- 10.2157271990151 split increased to 2 itime 868908
+Velocities reset to random values, time 171999.80
+ acceleration/energy drift too large 17.5859051008176
+ 127.961843631841 split increased to 2 itime 861368
itsplit 1
- acceleration/energy drift too large 6.13313732025728
- 27.7441966522601 split increased to 2 itime 869179
+ acceleration/energy drift too large 3.08588945210958
+ 20.1741435818853 split increased to 2 itime 862361
itsplit 1
- acceleration/energy drift too large 3.97648386870646
- 23.2118831220007 split increased to 2 itime 869465
+ acceleration/energy drift too large 3.80444264659922
+ 10.7346391225929 split increased to 2 itime 864084
itsplit 1
-Velocities reset to random values, time 173999.80
- acceleration/energy drift too large 3.95967950728212
- 12.1340881954239 split increased to 2 itime 871300
+ acceleration/energy drift too large 8.50804119298306
+ 29.8310583678372 split increased to 2 itime 865057
itsplit 1
- acceleration/energy drift too large 6.84088379366927
- 13.5684652273753 split increased to 2 itime 871852
+ acceleration/energy drift too large 10.7900732799642
+ 43.7887689148419 split increased to 2 itime 868027
+ itsplit 1
+Velocities reset to random values, time 173999.80
+ acceleration/energy drift too large 4.43609744291397
+ 23.2381566778779 split increased to 2 itime 870794
itsplit 1
- acceleration/energy drift too large 5.54828041045013
- 16.9373733702985 split increased to 2 itime 875525
+ acceleration/energy drift too large 2.77507956919091
+ 12.9411071827373 split increased to 2 itime 873419
itsplit 1
- acceleration/energy drift too large 4.06184948608980
- 20.8189093256982 split increased to 2 itime 876200
+ acceleration/energy drift too large 4.28904465352887
+ 12.0029911148012 split increased to 2 itime 875591
itsplit 1
- acceleration/energy drift too large 6.38806491317628
- 10.4459065025896 split increased to 2 itime 876258
+ acceleration/energy drift too large 3.11749826162068
+ 10.8622265628500 split increased to 2 itime 876577
itsplit 1
- acceleration/energy drift too large 4.30411225607038
- 18.0917827384928 split increased to 2 itime 877550
+ acceleration/energy drift too large 3.70106234255028
+ 16.8969754572951 split increased to 2 itime 877955
itsplit 1
- acceleration/energy drift too large 2.94749119836904
- 21.3269540251211 split increased to 2 itime 877734
+ acceleration/energy drift too large 3.26923106665625
+ 12.9959236803703 split increased to 2 itime 878919
itsplit 1
Velocities reset to random values, time 175999.80
- acceleration/energy drift too large 2.16672268647222
- 10.4816245016139 split increased to 2 itime 880680
+ acceleration/energy drift too large 15.8196809012077
+ 97.3854633800309 split increased to 2 itime 880117
+ itsplit 1
+ acceleration/energy drift too large 7.52884596253747
+ 17.8026315304973 split increased to 2 itime 881394
+ itsplit 1
+ acceleration/energy drift too large 3.79473381050383
+ 10.6290104459350 split increased to 2 itime 881910
+ itsplit 1
+ acceleration/energy drift too large 10.3673138930918
+ 49.2420982670958 split increased to 2 itime 885631
+ itsplit 1
+ acceleration/energy drift too large 12.2991967136082
+ 80.9459880245008 split increased to 2 itime 885966
itsplit 1
- acceleration/energy drift too large 4.86499489226901
- 13.8313415454886 split increased to 2 itime 882516
+ acceleration/energy drift too large 5.24599104657334
+ 17.4420361266843 split increased to 2 itime 886015
itsplit 1
- acceleration/energy drift too large 5.78521891421254
- 24.0057929736009 split increased to 2 itime 885949
+ acceleration/energy drift too large 7.38609922912284
+ 31.0171040946429 split increased to 2 itime 886558
itsplit 1
- acceleration/energy drift too large 7.93059285037192
- 22.7091408537575 split increased to 2 itime 886564
+ acceleration/energy drift too large 6.14320257659810
+ 22.4261700557738 split increased to 2 itime 889815
itsplit 1
- acceleration/energy drift too large 5.12586774710923
- 18.4022433502917 split increased to 2 itime 888384
+ acceleration/energy drift too large 5.11862435901591
+ 15.6347494880867 split increased to 2 itime 889921
itsplit 1
Velocities reset to random values, time 177999.80
- acceleration/energy drift too large 14.1957988306399
- 83.7309233349541 split increased to 2 itime 892605
+ acceleration/energy drift too large 3.91370387215909
+ 12.2391311245022 split increased to 2 itime 890045
itsplit 1
- 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
+ acceleration/energy drift too large 6.37973522982974
+ 23.8648614403877 split increased to 2 itime 890069
+ itsplit 1
+ acceleration/energy drift too large 5.56635092306949
+ 12.6241158439758 split increased to 2 itime 891331
+ itsplit 1
+ acceleration/energy drift too large 3.75268897476799
+ 12.1575580035970 split increased to 2 itime 892518
itsplit 1
- acceleration/energy drift too large 4.58269544360829
- 10.6542840724855 split increased to 2 itime 894248
+ acceleration/energy drift too large 4.43937575439957
+ 22.7722492049640 split increased to 2 itime 892802
itsplit 1
- acceleration/energy drift too large 7.44922169071775
- 25.1294768049739 split increased to 2 itime 894683
+ acceleration/energy drift too large 10.6241876598926
+ 45.9953000664938 split increased to 2 itime 895411
itsplit 1
- acceleration/energy drift too large 4.91173938389667
- 12.9780056053374 split increased to 2 itime 894698
+ acceleration/energy drift too large 2.39962345129468
+ 19.2569996056086 split increased to 2 itime 896287
itsplit 1
- acceleration/energy drift too large 1.87724879000168
- 10.9052408931456 split increased to 2 itime 894940
+ acceleration/energy drift too large 5.47353447683182
+ 16.5933524361732 split increased to 2 itime 897036
itsplit 1
- acceleration/energy drift too large 3.98317317396835
- 11.4700191857306 split increased to 2 itime 896193
+ acceleration/energy drift too large 6.81362692943530
+ 14.5829361927480 split increased to 2 itime 898189
itsplit 1
- acceleration/energy drift too large 4.84819647043968
- 17.7940787249061 split increased to 2 itime 897436
+ acceleration/energy drift too large 1.00734609186052
+ 10.7635986048675 split increased to 2 itime 898647
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 372.859375000000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
+ REMD gather times= 321.027343750000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
REMD writing traj time= 3.906250000000000E-003
NREP 16
-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 1 250.00000 0.55556 9
+ACC 2 260.00000 0.44444 9
+ACC 3 270.00000 0.55556 9
+ACC 4 280.00000 0.77778 9
ACC 5 290.00000 0.44444 9
-ACC 6 300.00000 0.66667 9
+ACC 6 300.00000 0.33333 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 0.88889 9
-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
- acceleration/energy drift too large 6.80307774896243
- 19.3124234088704 split increased to 2 itime 900852
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 4.09600332175736
+ 24.1403659075263 split increased to 2 itime 900254
itsplit 1
- acceleration/energy drift too large 4.41154721779829
- 11.0660768588015 split increased to 2 itime 901213
+ acceleration/energy drift too large 5.43805032742437
+ 15.7288034718753 split increased to 2 itime 900366
itsplit 1
- acceleration/energy drift too large 8.27127214247565
- 21.9395778634232 split increased to 2 itime 902039
+ acceleration/energy drift too large 4.19676251286341
+ 13.2249412720939 split increased to 2 itime 900900
itsplit 1
- acceleration/energy drift too large 8.04958420189117
- 18.8430910280835 split increased to 2 itime 902121
+ acceleration/energy drift too large 3.66831898362625
+ 17.2452353330407 split increased to 2 itime 902349
itsplit 1
- acceleration/energy drift too large 6.51438711553797
- 28.2327236815445 split increased to 2 itime 902368
+ acceleration/energy drift too large 3.99500825743902
+ 22.2447701986294 split increased to 2 itime 902723
itsplit 1
- acceleration/energy drift too large 8.42263868759753
- 24.8944174479372 split increased to 2 itime 902460
+ acceleration/energy drift too large 5.28533241554909
+ 17.3164410718493 split increased to 2 itime 904013
itsplit 1
- acceleration/energy drift too large 11.3588797307148
- 57.0539232532797 split increased to 2 itime 904588
+ acceleration/energy drift too large 4.81570551600218
+ 10.4955545810156 split increased to 2 itime 908078
itsplit 1
- acceleration/energy drift too large 5.40442018878542
- 14.1542559605059 split increased to 2 itime 906407
+Velocities reset to random values, time 181999.80
+ acceleration/energy drift too large 3.41579550202011
+ 12.4573417227440 split increased to 2 itime 910753
itsplit 1
- acceleration/energy drift too large 9.47818274991936
- 41.9312323581368 split increased to 2 itime 907492
+ acceleration/energy drift too large 2.03008057515268
+ 14.4886311320402 split increased to 2 itime 911038
itsplit 1
-Velocities reset to random values, time 181999.80
- acceleration/energy drift too large 4.14041007131799
- 13.6884763974237 split increased to 2 itime 910797
+ acceleration/energy drift too large 3.03786301929757
+ 15.3730866067150 split increased to 2 itime 912949
itsplit 1
- acceleration/energy drift too large 8.96247910550203
- 38.3774101640457 split increased to 2 itime 911992
+ acceleration/energy drift too large 8.48315313835493
+ 46.3803115244135 split increased to 2 itime 913057
itsplit 1
- acceleration/energy drift too large 5.19225712594980
- 14.1218085635234 split increased to 2 itime 913992
+ acceleration/energy drift too large 2.13274342487333
+ 12.7744807785303 split increased to 2 itime 916654
itsplit 1
- acceleration/energy drift too large 1.55020123013803
- 11.2603696584587 split increased to 2 itime 913993
+ acceleration/energy drift too large 4.90931864598165
+ 12.4882248279962 split increased to 2 itime 918104
itsplit 1
- acceleration/energy drift too large 3.67467600152415
- 11.1308439544382 split increased to 2 itime 918188
+ acceleration/energy drift too large 2.86506890460627
+ 16.6375303650656 split increased to 2 itime 918354
itsplit 1
- acceleration/energy drift too large 5.87543829487982
- 17.5936735137630 split increased to 2 itime 919424
+ acceleration/energy drift too large 4.50859238700249
+ 12.1016065772025 split increased to 2 itime 919089
itsplit 1
Velocities reset to random values, time 183999.80
- acceleration/energy drift too large 6.89439736087552
- 20.5707366508991 split increased to 2 itime 922987
- itsplit 1
- acceleration/energy drift too large 3.39125331269946
- 10.1833163787719 split increased to 2 itime 922988
+ acceleration/energy drift too large 5.77510767804689
+ 19.1883388067014 split increased to 2 itime 922570
itsplit 1
- acceleration/energy drift too large 2.67253249615859
- 10.8159939168896 split increased to 2 itime 924897
+ acceleration/energy drift too large 2.14043371204570
+ 13.3402348577469 split increased to 2 itime 922792
itsplit 1
- acceleration/energy drift too large 5.63880238100149
- 16.2900850294096 split increased to 2 itime 925341
+ acceleration/energy drift too large 2.21805198341595
+ 19.1959381228315 split increased to 2 itime 923365
itsplit 1
- acceleration/energy drift too large 2.79653612917923
- 13.8830502464221 split increased to 2 itime 926200
+ acceleration/energy drift too large 12.2171701249866
+ 69.0188607238379 split increased to 2 itime 925745
itsplit 1
- acceleration/energy drift too large 5.12768293050376
- 21.6436258575712 split increased to 2 itime 927567
+ acceleration/energy drift too large 3.12092073616893
+ 21.9395715298105 split increased to 2 itime 927279
itsplit 1
- acceleration/energy drift too large 4.07367099570602
- 10.9138107040253 split increased to 2 itime 928469
+ acceleration/energy drift too large 3.32499002954176
+ 12.1891007877187 split increased to 2 itime 929095
itsplit 1
Velocities reset to random values, time 185999.80
- acceleration/energy drift too large 7.38307613328744
- 11.1803944772985 split increased to 2 itime 931547
+ acceleration/energy drift too large 2.11452261552359
+ 10.9719743927947 split increased to 2 itime 930139
itsplit 1
- acceleration/energy drift too large 9.14661026599905
- 14.4104795419354 split increased to 2 itime 931700
+ acceleration/energy drift too large 2.66290633598862
+ 15.1419462949289 split increased to 2 itime 930378
itsplit 1
- acceleration/energy drift too large 4.57433378377475
- 14.0926698849211 split increased to 2 itime 933579
+ acceleration/energy drift too large 3.77162633900425
+ 16.3516792148038 split increased to 2 itime 932427
itsplit 1
- acceleration/energy drift too large 2.66122761670839
- 24.9114328568537 split increased to 2 itime 934035
+ acceleration/energy drift too large 4.98862215297974
+ 13.7814488631940 split increased to 2 itime 933132
itsplit 1
- acceleration/energy drift too large 5.57563407996959
- 11.8984071730631 split increased to 2 itime 935637
+ acceleration/energy drift too large 8.66546969942739
+ 34.7313541672667 split increased to 2 itime 935891
itsplit 1
- acceleration/energy drift too large 4.48459049309447
- 21.5845871712041 split increased to 2 itime 936817
+ acceleration/energy drift too large 2.75532205708844
+ 17.2182214080188 split increased to 2 itime 936560
itsplit 1
- acceleration/energy drift too large 2.68358932477076
- 10.1169163748936 split increased to 2 itime 936886
+ acceleration/energy drift too large 3.36601164759325
+ 14.7095917722228 split increased to 2 itime 936814
itsplit 1
- acceleration/energy drift too large 3.86002415528629
- 12.7298671994907 split increased to 2 itime 936949
+ acceleration/energy drift too large 6.29744618912871
+ 25.3289625636467 split increased to 2 itime 936923
itsplit 1
- acceleration/energy drift too large 10.6806997240932
- 48.8333433889083 split increased to 2 itime 936978
- itsplit 1
- acceleration/energy drift too large 4.25858380303147
- 10.2062387533218 split increased to 2 itime 939117
+ acceleration/energy drift too large 3.29188848530177
+ 11.3180878156024 split increased to 2 itime 938516
itsplit 1
Velocities reset to random values, time 187999.80
- acceleration/energy drift too large 2.99806815885491
- 10.3670993394339 split increased to 2 itime 941410
+ acceleration/energy drift too large 7.45060497304771
+ 19.1056835363473 split increased to 2 itime 941055
itsplit 1
- acceleration/energy drift too large 6.95995718760027
- 17.0907910219986 split increased to 2 itime 941428
+ acceleration/energy drift too large 1.70927865281569
+ 15.4276134067700 split increased to 2 itime 941594
itsplit 1
- acceleration/energy drift too large 3.96477544687776
- 11.0157340013351 split increased to 2 itime 942812
+ acceleration/energy drift too large 2.79520554599676
+ 16.5866162824307 split increased to 2 itime 942140
itsplit 1
- acceleration/energy drift too large 2.78560378511364
- 11.6323713086335 split increased to 2 itime 943624
+ acceleration/energy drift too large 5.72086722335302
+ 16.1982859112045 split increased to 2 itime 942211
itsplit 1
- acceleration/energy drift too large 1.97221965443574
- 10.6949309918516 split increased to 2 itime 943644
+ acceleration/energy drift too large 9.26184595271055
+ 43.3725049475285 split increased to 2 itime 945636
itsplit 1
- acceleration/energy drift too large 3.64464312294482
- 11.3120479758894 split increased to 2 itime 943652
+ acceleration/energy drift too large 5.28792409397115
+ 22.4304375258818 split increased to 2 itime 945939
itsplit 1
- acceleration/energy drift too large 2.17215144108547
- 10.4015522824314 split increased to 2 itime 943664
+ acceleration/energy drift too large 6.39915602440857
+ 19.3893760838846 split increased to 2 itime 946132
itsplit 1
- acceleration/energy drift too large 7.54008567621025
- 21.1876185890778 split increased to 2 itime 947556
+ acceleration/energy drift too large 2.90339511393574
+ 21.9254360390714 split increased to 2 itime 946175
itsplit 1
- acceleration/energy drift too large 11.9230373309006
- 60.5829946916903 split increased to 2 itime 948426
+ acceleration/energy drift too large 4.65413402031297
+ 11.6411815863245 split increased to 2 itime 949174
itsplit 1
Velocities reset to random values, time 189999.80
- acceleration/energy drift too large 6.06250980515307
- 13.5866356014714 split increased to 2 itime 951686
- itsplit 1
- acceleration/energy drift too large 2.12344590097711
- 12.3837011834801 split increased to 2 itime 951687
- itsplit 1
- acceleration/energy drift too large 4.81968949558441
- 13.3788454534942 split increased to 2 itime 952513
+ acceleration/energy drift too large 9.39335776390491
+ 39.2467283807493 split increased to 2 itime 955601
itsplit 1
- acceleration/energy drift too large 4.51771913971148
- 24.2126892886667 split increased to 2 itime 955166
+ acceleration/energy drift too large 2.11476948097336
+ 12.1647056607480 split increased to 2 itime 955808
itsplit 1
- acceleration/energy drift too large 5.22078357207322
- 12.4267415109033 split increased to 2 itime 955995
+ acceleration/energy drift too large 10.4478114809711
+ 51.2481138788660 split increased to 2 itime 955869
itsplit 1
- acceleration/energy drift too large 2.54677460115570
- 11.6134852033933 split increased to 2 itime 958855
+ acceleration/energy drift too large 8.52454654017668
+ 16.3972254869401 split increased to 2 itime 957044
itsplit 1
- acceleration/energy drift too large 8.10787151072794
- 15.6697666769298 split increased to 2 itime 959052
- itsplit 1
- acceleration/energy drift too large 7.04072136801924
- 13.8436660350887 split increased to 2 itime 959064
+ acceleration/energy drift too large 10.9620368452827
+ 61.3432352687953 split increased to 2 itime 958041
itsplit 1
Velocities reset to random values, time 191999.80
- acceleration/energy drift too large 4.03928217835760
- 10.1170361144387 split increased to 2 itime 960653
- itsplit 1
- acceleration/energy drift too large 1.76534673599795
- 13.3132309790743 split increased to 2 itime 961547
- itsplit 1
- acceleration/energy drift too large 2.45359165847183
- 12.5303780656618 split increased to 2 itime 961548
- itsplit 1
- acceleration/energy drift too large 4.18587959210560
- 11.7105194463004 split increased to 2 itime 962421
- itsplit 1
- acceleration/energy drift too large 2.97981664943223
- 19.8803368857843 split increased to 2 itime 963065
- itsplit 1
- acceleration/energy drift too large 6.30789144398029
- 18.7157557059132 split increased to 2 itime 963551
+ acceleration/energy drift too large 3.49304175291247
+ 12.4467149370136 split increased to 2 itime 960919
itsplit 1
- acceleration/energy drift too large 5.11699708651645
- 11.4790181720050 split increased to 2 itime 963664
+ acceleration/energy drift too large 3.51981498723119
+ 12.3098727856934 split increased to 2 itime 961029
itsplit 1
- acceleration/energy drift too large 5.87497660521767
- 22.3171823535461 split increased to 2 itime 964148
+ acceleration/energy drift too large 5.40027540039806
+ 13.0168704833841 split increased to 2 itime 963432
itsplit 1
- acceleration/energy drift too large 2.97653781375550
- 21.1442853290830 split increased to 2 itime 964820
+ acceleration/energy drift too large 10.0197203285980
+ 38.3006166618357 split increased to 2 itime 964146
itsplit 1
- acceleration/energy drift too large 3.63473393819300
- 10.1700217763226 split increased to 2 itime 967154
+ acceleration/energy drift too large 1.65041805282890
+ 12.5343766511639 split increased to 2 itime 964147
itsplit 1
- acceleration/energy drift too large 10.7041710437672
- 54.8906400960495 split increased to 2 itime 968155
+ acceleration/energy drift too large 3.05706826690202
+ 12.0581646153993 split increased to 2 itime 968149
itsplit 1
- acceleration/energy drift too large 2.37077394741869
- 13.1446481682347 split increased to 2 itime 969729
+ acceleration/energy drift too large 1.97484843301173
+ 11.0055349772362 split increased to 2 itime 969389
itsplit 1
Velocities reset to random values, time 193999.80
- acceleration/energy drift too large 2.51683209829565
- 13.7103742175068 split increased to 2 itime 970048
+ acceleration/energy drift too large 5.17842158002479
+ 13.6336613072994 split increased to 2 itime 972611
itsplit 1
- acceleration/energy drift too large 2.47129543399149
- 12.7009963135846 split increased to 2 itime 970969
+ acceleration/energy drift too large 4.50438525134163
+ 11.3228475250135 split increased to 2 itime 973242
itsplit 1
- acceleration/energy drift too large 4.34902140828444
- 15.6155927190299 split increased to 2 itime 971020
+ acceleration/energy drift too large 5.92220392075999
+ 17.1424041305661 split increased to 2 itime 973623
itsplit 1
- acceleration/energy drift too large 2.27334650823075
- 11.1697735787551 split increased to 2 itime 971056
+ acceleration/energy drift too large 4.17534740318464
+ 16.5548148625435 split increased to 2 itime 974557
itsplit 1
- acceleration/energy drift too large 7.03050146862214
- 20.7278137426450 split increased to 2 itime 971289
+ acceleration/energy drift too large 5.40510523889666
+ 22.7691816764549 split increased to 2 itime 976401
itsplit 1
- acceleration/energy drift too large 2.82355440155670
- 10.7175078002837 split increased to 2 itime 971329
+ acceleration/energy drift too large 5.41830170639129
+ 13.0130511937652 split increased to 2 itime 976615
itsplit 1
- acceleration/energy drift too large 1.74196085390996
- 10.0783949574867 split increased to 2 itime 971404
+ acceleration/energy drift too large 4.14969257993521
+ 22.8917849750396 split increased to 2 itime 976760
itsplit 1
- acceleration/energy drift too large 2.64241839419164
- 10.3992457144291 split increased to 2 itime 971456
+ acceleration/energy drift too large 2.60673518803913
+ 10.1411423646849 split increased to 2 itime 977223
itsplit 1
- acceleration/energy drift too large 2.79979766757045
- 10.0970445429678 split increased to 2 itime 971461
+ acceleration/energy drift too large 9.90346261107569
+ 45.3750028208393 split increased to 2 itime 977422
itsplit 1
- acceleration/energy drift too large 7.28424350355136
- 27.9143801763084 split increased to 2 itime 974239
+ acceleration/energy drift too large 2.70529752485715
+ 11.8640469064687 split increased to 2 itime 978359
itsplit 1
- acceleration/energy drift too large 6.77088601301388
- 17.8048840964558 split increased to 2 itime 974768
+ acceleration/energy drift too large 3.70086774910857
+ 24.0878671547424 split increased to 2 itime 978400
itsplit 1
- acceleration/energy drift too large 3.41386834696525
- 18.7708967601219 split increased to 2 itime 975371
- itsplit 1
- acceleration/energy drift too large 5.64915319002032
- 19.7791371229969 split increased to 2 itime 976398
- itsplit 1
- acceleration/energy drift too large 2.19824426915873
- 13.7488292455081 split increased to 2 itime 976399
- itsplit 1
- acceleration/energy drift too large 3.40026348768391
- 11.6355733357343 split increased to 2 itime 977211
- itsplit 1
- acceleration/energy drift too large 4.62967632892734
- 25.9496933402413 split increased to 2 itime 977298
- itsplit 1
- acceleration/energy drift too large 4.25437884762082
- 12.7948437978389 split increased to 2 itime 977367
- itsplit 1
- acceleration/energy drift too large 9.94726087019807
- 31.8640676380020 split increased to 2 itime 979575
- itsplit 1
- acceleration/energy drift too large 8.40906112675185
- 23.8825372491426 split increased to 2 itime 979666
- itsplit 1
- acceleration/energy drift too large 4.92768374585870
- 11.8255044210021 split increased to 2 itime 979974
+ acceleration/energy drift too large 4.20223748105699
+ 11.4174191977298 split increased to 2 itime 979268
itsplit 1
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 8.83714967451627
- 13.6365806970922 split increased to 2 itime 980182
- itsplit 1
- acceleration/energy drift too large 6.33340887021015
- 14.4224467611517 split increased to 2 itime 980385
- itsplit 1
- acceleration/energy drift too large 6.13045624251346
- 15.4198344809008 split increased to 2 itime 980497
- itsplit 1
- acceleration/energy drift too large 3.47999039597566
- 15.6363206461745 split increased to 4 itime 980497
- itsplit 1
- acceleration/energy drift too large 9.69278117428418
- 29.5493747110829 split increased to 2 itime 980816
- itsplit 1
- acceleration/energy drift too large 2.88338361369947
- 10.5330328744217 split increased to 2 itime 981025
- itsplit 1
- acceleration/energy drift too large 1.75623295445173
- 10.0149509658342 split increased to 2 itime 981075
- itsplit 1
- acceleration/energy drift too large 5.90602929463566
- 15.7916821896797 split increased to 2 itime 981966
- itsplit 1
- acceleration/energy drift too large 6.62225656027006
- 18.2322309048501 split increased to 2 itime 985370
- itsplit 1
- acceleration/energy drift too large 2.43500865576060
- 10.3662887311496 split increased to 2 itime 985510
+ acceleration/energy drift too large 5.01847171749209
+ 12.4223843762061 split increased to 2 itime 980511
itsplit 1
- acceleration/energy drift too large 1.83401550880990
- 10.0080430305350 split increased to 2 itime 985535
+ acceleration/energy drift too large 4.33456351446850
+ 16.1724584707350 split increased to 2 itime 981027
itsplit 1
- acceleration/energy drift too large 6.00730096517442
- 16.1516098305455 split increased to 2 itime 986308
- itsplit 1
- acceleration/energy drift too large 9.54776854687486
- 31.2729096382561 split increased to 2 itime 986618
- itsplit 1
- acceleration/energy drift too large 1.71904169356812
- 12.9418097180014 split increased to 2 itime 986619
- itsplit 1
- acceleration/energy drift too large 3.87813960977231
- 17.4025074019065 split increased to 2 itime 987731
- itsplit 1
- acceleration/energy drift too large 6.84591415884719
- 30.2275212768287 split increased to 2 itime 988481
- itsplit 1
- acceleration/energy drift too large 3.31590013256418
- 12.3335526564077 split increased to 2 itime 988541
- itsplit 1
- acceleration/energy drift too large 5.20933045288123
- 10.8296380310782 split increased to 2 itime 988706
- itsplit 1
- acceleration/energy drift too large 3.31087648100204
- 22.9818506843464 split increased to 2 itime 989255
+ acceleration/energy drift too large 3.80248481045070
+ 22.5870208614060 split increased to 2 itime 986265
itsplit 1
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 2.79671407956713
- 11.0466130770807 split increased to 2 itime 995399
- itsplit 1
- acceleration/energy drift too large 3.32735704281660
- 26.0476439871136 split increased to 2 itime 995850
- itsplit 1
- acceleration/energy drift too large 5.70606494329088
- 18.9232877605009 split increased to 2 itime 996165
- itsplit 1
- acceleration/energy drift too large 2.15313495296238
- 10.7163317384939 split increased to 2 itime 997693
- itsplit 1
- acceleration/energy drift too large 3.52595136620705
- 15.6035016261854 split increased to 2 itime 997746
- itsplit 1
- acceleration/energy drift too large 2.95330354173708
- 10.6437617973183 split increased to 2 itime 997894
- itsplit 1
- acceleration/energy drift too large 4.95726442868944
- 11.3582533885453 split increased to 2 itime 998796
- itsplit 1
- acceleration/energy drift too large 13.3049159475383
- 61.0775050886759 split increased to 2 itime 998832
- itsplit 1
- acceleration/energy drift too large 2.55159374061974
- 24.5946327373787 split increased to 2 itime 998833
- itsplit 1
- acceleration/energy drift too large 4.59810549927951
- 12.5766521811184 split increased to 2 itime 998836
- itsplit 1
- acceleration/energy drift too large 3.53113800926296
- 10.4074034296021 split increased to 2 itime 998951
+ acceleration/energy drift too large 2.42166593966305
+ 16.5283014395278 split increased to 2 itime 993525
itsplit 1
- acceleration/energy drift too large 6.00947711161932
- 13.4096161189907 split increased to 2 itime 999302
+ acceleration/energy drift too large 7.59241911177075
+ 26.9930930179384 split increased to 2 itime 995730
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
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
writing restart at the end of run
=================================== Timing ===================================
- MD calculations setup: 3.90625E-03
- Energy & gradient evaluation: 3.78145E+02
+ MD calculations setup: 1.56250E-02
+ Energy & gradient evaluation: 3.34586E+02
Stochastic MD setup: 0.00000E+00
Stochastic MD step setup: 0.00000E+00
- MD steps: 4.14180E+02
+ MD steps: 3.56742E+02
============================ End of MD calculation ===========================
CG processor 0 is finishing work.
- Total wall clock time 414.195312500000 sec
+ Total wall clock time 356.800781250000 sec
projects / unres.git / blobdiff