DiL PARAM update

[unres.git] / PARAM / torsion_631Gdp_old_ext.parm

diff --git a/PARAM/torsion_631Gdp_old_ext.parm b/PARAM/torsion_631Gdp_old_ext.parm
index 09d5df7..c891644 100644 (file)
--- 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
      0                   -1.11258E-02      -3.15723E-02
- 0 0 ****** Ala-D-Pro
- 0 0 ****** Ala-D-Ala
+6 0 ** L-Ala-D-Pro-reg
+     1                   -3.67336E+00       1.98471E+00
+     2                   -6.26727E-01      -8.14864E-02
+     3                    2.43704E-02      -1.02431E+00
+     4                    3.16312E-01       1.87132E-01
+     5                    2.66420E-01       1.43927E-01
+     6                   -2.65977E-01       5.94169E-02
+6 0 ** L-Ala-D-Ala-reg
+     1                   -7.75462E-01       4.16758E-01
+     2                    2.23510E-02       6.78839E-02
+     3                    2.54868E-01      -8.31567E-02
+     4                   -7.10523E-02      -1.74577E-01
+     5                    3.33282E-02       3.98392E-02
+     6                    1.56054E-04      -1.41661E-02
  6 0 ************ A-G
      1                    5.14830E-03       9.48478E-02
      2                   -8.85552E-02       1.20661E-01
@@ -54,8 +78,20 @@
      8                   -2.77282E-02       2.84981E-02
      9                    2.15879E-02       1.85528E-02
      0                   -8.56980E-03       3.92482E-02
- 0 0 ** Pro-D-Por
- 0 0 ** Pro-D-Ala
+6 0 ** L-Pro-D-Pro-reg
+     1                   -3.40143E+00      -3.68917E+00
+     2                   -1.79356E+00       1.27378E+00
+     3                    1.52538E+00       1.51128E-01
+     4                   -1.16399E-01      -9.80625E-01
+     5                   -5.43709E-01       4.32254E-01
+     6                    3.39955E-01       1.28204E-01
+6 0 ** L-Pro-D-Ala-reg
+     1                   -7.91570E-01       1.00745E+00
+     2                    2.89816E-03      -1.42421E-01
+     3                    2.00092E-01      -1.46860E-01
+     4                    4.75906E-02       1.23842E-01
+     5                   -2.88990E-02      -2.23460E-02
+     6                    8.92327E-03      -2.80002E-02
 10 0 ************ P-G
      1                    2.12359E-02       4.05506E-02
      2                   -1.19424E-01       2.91087E-01