update PARAM

[unres.git] / PARAM / tor_opt_iter0_7prot-eps_ext.parm

diff --git a/PARAM/tor_opt_iter0_7prot-eps_ext.parm b/PARAM/tor_opt_iter0_7prot-eps_ext.parm
new file mode 100644 (file)
index 0000000..cd0a229
--- /dev/null
+++ b/PARAM/tor_opt_iter0_7prot-eps_ext.parm
@@ -0,0 +1,252 @@
+3  ***  Optimized torsional parameters 7p_wham_last  ***  
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1
+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                    2.91221E-01       0.00000E+00
+     2                    1.97221E-01       0.00000E+00
+     3                    3.47215E-02       0.00000E+00
+     4                   -1.25868E-01       0.00000E+00
+     5                   -8.07275E-02       0.00000E+00
+     6                   -3.07820E-03       0.00000E+00
+ 6 0  ************  G-A
+     1                    1.37258E-01      -1.87823E-01
+     2                   -3.24314E-03      -1.14115E-01
+     3                    1.00886E-01       6.20938E-02
+     4                   -1.24448E-01       1.61747E-01
+     5                   -1.22389E-02       1.29629E-01
+     6                    1.18244E-02      -7.32819E-02
+10 0  ************  G-P
+     1                   -2.35280E-01       4.47825E-01
+     2                    2.25332E-01       4.39143E-01
+     3                    8.54137E-02      -3.13391E-02
+     4                    9.34821E-04      -5.34886E-03
+     5                    1.29469E-01       2.38018E-01
+     6                   -1.67401E-01       1.36767E-01
+     7                   -9.09952E-03      -1.50380E-01
+     8                    1.59178E-01       1.58505E-02
+     9                   -5.07021E-02       9.02235E-02
+    10                   -2.74002E-02       3.70860E-02
+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                   -2.29844E-01       8.10157E-02
+     2                   -7.16965E-02       8.72173E-02
+     3                    3.14208E-01      -5.35383E-02
+     4                   -2.02452E-01      -6.71549E-02
+     5                    6.37359E-02      -3.21902E-02
+     6                    1.20409E-02      -4.77091E-02
+ 6 0  ************  A-A
+     1                    4.84934E-01       1.01827E-01
+     2                    2.02908E-01      -1.57752E-01
+     3                    1.83892E-01      -9.11332E-03
+     4                   -5.50573E-02       3.62865E-02
+     5                    2.01397E-02       1.58844E-02
+     6                    6.37922E-03       2.45381E-03
+10 0  ************  A-P
+     1                    1.05440E+00       1.99420E+00
+     2                    4.15367E-01       2.58231E-01
+     3                    4.38811E-01       1.78360E-01
+     4                   -6.03233E-02       1.44596E-01
+     5                   -1.32748E-01      -8.30658E-02
+     6                    7.92515E-02      -1.23210E-01
+     7                    1.46959E-01       9.69035E-02
+     8                   -8.27696E-02       2.19985E-01
+     9                   -2.20971E-01       9.42558E-04
+    10                   -2.11828E-02      -3.91532E-02
+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
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -5.30371E-01      -3.79838E-03
+     2                    6.32663E-02      -1.09521E-01
+     3                    1.21519E-01       8.43223E-03
+     4                   -7.80575E-03       3.76829E-02
+     5                   -4.82717E-02      -4.37033E-02
+     6                   -1.47599E-02       9.06497E-02
+     7                    4.59200E-02       2.27528E-02
+     8                   -7.44594E-02       4.24939E-02
+     9                   -4.90352E-02      -2.08349E-02
+    10                   -8.46346E-02      -1.07298E-02
+10 0  ************  P-P
+     1                    4.23486E+00       7.87119E-01
+     2                    2.59217E+00      -3.33044E-01
+     3                    1.24864E+00      -4.98088E-01
+     4                    1.16294E-01      -1.79001E-01
+     5                   -9.55402E-01       1.83034E-01
+     6                   -1.87536E+00       2.47282E-01
+     7                   -2.44663E+00       5.47506E-01
+     8                   -2.27142E+00       8.14203E-01
+     9                   -1.33942E+00       7.88906E-01
+    10                   -4.40969E-01       2.69137E-01
+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                    2.91221E-01       0.00000E+00
+     2                    1.97221E-01       0.00000E+00
+     3                    3.47215E-02       0.00000E+00
+     4                   -1.25868E-01       0.00000E+00
+     5                   -8.07275E-02       0.00000E+00
+     6                   -3.07820E-03       0.00000E+00
+ 6 0  ************  G-A
+     1                    1.37258E-01      -1.87823E-01
+     2                   -3.24314E-03      -1.14115E-01
+     3                    1.00886E-01       6.20938E-02
+     4                   -1.24448E-01       1.61747E-01
+     5                   -1.22389E-02       1.29629E-01
+     6                    1.18244E-02      -7.32819E-02
+10 0  ************  G-P
+     1                   -2.35280E-01       4.47825E-01
+     2                    2.25332E-01       4.39143E-01
+     3                    8.54137E-02      -3.13391E-02
+     4                    9.34821E-04      -5.34886E-03
+     5                    1.29469E-01       2.38018E-01
+     6                   -1.67401E-01       1.36767E-01
+     7                   -9.09952E-03      -1.50380E-01
+     8                    1.59178E-01       1.58505E-02
+     9                   -5.07021E-02       9.02235E-02
+    10                   -2.74002E-02       3.70860E-02
+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                   -2.29844E-01       8.10157E-02
+     2                   -7.16965E-02       8.72173E-02
+     3                    3.14208E-01      -5.35383E-02
+     4                   -2.02452E-01      -6.71549E-02
+     5                    6.37359E-02      -3.21902E-02
+     6                    1.20409E-02      -4.77091E-02
+ 6 0  ************  A-A
+     1                    4.84934E-01       1.01827E-01
+     2                    2.02908E-01      -1.57752E-01
+     3                    1.83892E-01      -9.11332E-03
+     4                   -5.50573E-02       3.62865E-02
+     5                    2.01397E-02       1.58844E-02
+     6                    6.37922E-03       2.45381E-03
+10 0  ************  A-P
+     1                    1.05440E+00       1.99420E+00
+     2                    4.15367E-01       2.58231E-01
+     3                    4.38811E-01       1.78360E-01
+     4                   -6.03233E-02       1.44596E-01
+     5                   -1.32748E-01      -8.30658E-02
+     6                    7.92515E-02      -1.23210E-01
+     7                    1.46959E-01       9.69035E-02
+     8                   -8.27696E-02       2.19985E-01
+     9                   -2.20971E-01       9.42558E-04
+    10                   -2.11828E-02      -3.91532E-02
+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
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -5.30371E-01      -3.79838E-03
+     2                    6.32663E-02      -1.09521E-01
+     3                    1.21519E-01       8.43223E-03
+     4                   -7.80575E-03       3.76829E-02
+     5                   -4.82717E-02      -4.37033E-02
+     6                   -1.47599E-02       9.06497E-02
+     7                    4.59200E-02       2.27528E-02
+     8                   -7.44594E-02       4.24939E-02
+     9                   -4.90352E-02      -2.08349E-02
+    10                   -8.46346E-02      -1.07298E-02
+10 0  ************  P-P
+     1                    4.23486E+00       7.87119E-01
+     2                    2.59217E+00      -3.33044E-01
+     3                    1.24864E+00      -4.98088E-01
+     4                    1.16294E-01      -1.79001E-01
+     5                   -9.55402E-01       1.83034E-01
+     6                   -1.87536E+00       2.47282E-01
+     7                   -2.44663E+00       5.47506E-01
+     8                   -2.27142E+00       8.14203E-01
+     9                   -1.33942E+00       7.88906E-01
+    10                   -4.40969E-01       2.69137E-01