From 07424fd779914e2e0d02bba26f6af281abaf0db3 Mon Sep 17 00:00:00 2001
From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Tue, 2 Jan 2018 13:32:29 +0100
Subject: [PATCH] DiL PARAM update

---
 PARAM/theta_abinitio_old_ext.parm        |39182 +++++++++++++++---------------
 PARAM/torsion_631Gdp_old_ext.parm        |   48 +-
 PARAM/torsion_double_631Gdp_old_ext.parm |14693 ++++++++++-
 3 files changed, 33651 insertions(+), 20272 deletions(-)

diff --git a/PARAM/theta_abinitio_old_ext.parm b/PARAM/theta_abinitio_old_ext.parm
index f04cceb..4df868d 100644
--- a/PARAM/theta_abinitio_old_ext.parm
+++ b/PARAM/theta_abinitio_old_ext.parm
@@ -1,2454 +1,2454 @@
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-1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 3 
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  PregPGreg   
     0.2478192756E+02
     0.1897940704E+04
diff --git a/PARAM/torsion_631Gdp_old_ext.parm b/PARAM/torsion_631Gdp_old_ext.parm
index 09d5df7..c891644 100644
--- a/PARAM/torsion_631Gdp_old_ext.parm
+++ b/PARAM/torsion_631Gdp_old_ext.parm
@@ -1,7 +1,19 @@
 3  *** Parameters derived by integrating MP2/6-31G** local energy surfaces ***
 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 0
- 0 0 ** Gly-D-Pro-reg
- 0 0 ** Gly-D-Ala-reg
+6 0 ** Gly-D-Pro-reg
+     1                   -1.02141E+00      -1.21787E+00
+     2                    2.66194E-03       1.01052E-02
+     3                    1.41880E-02      -1.29145E-02
+     4                   -5.54912E-02      -1.54449E-02
+     5                    2.72669E-02       4.68748E-02
+     6                    7.92569E-03      -3.12502E-02
+6 0 ** Gly-D-Ala-reg
+     1                    9.97046E-02       2.66476E-01
+     2                   -1.69687E-02      -4.91316E-02
+     3                    2.50219E-01      -6.24989E-02
+     4                   -1.52445E-01      -1.24202E-01
+     5                   -9.21242E-03      -9.52846E-04
+     6                    6.34622E-03      -4.58307E-03
  6 0 ************ G-G
      1                    4.03053E-03       0.0
      2                   -4.90330E-03       0.0
@@ -27,8 +39,20 @@
      8                    1.46743E-02      -3.26658E-03
      9                   -1.33460E-02       3.01470E-02
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@@ -54,8 +78,20 @@
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 10 0 ************ P-G
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diff --git a/PARAM/torsion_double_631Gdp_old_ext.parm b/PARAM/torsion_double_631Gdp_old_ext.parm
index 9eb0747..b832566 100644
--- a/PARAM/torsion_double_631Gdp_old_ext.parm
+++ b/PARAM/torsion_double_631Gdp_old_ext.parm
@@ -1,88 +1,1756 @@
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-
-- 
1.7.9.5