PARAM/torsion_ecepp.parm

   1 3  *** Parameters derived by integrating ECEPP/3 local energy surfaces ***
   2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3
   3 9 0 ************ gly-gly
   4      1                   -2.60185E-02       0.00000E+00
   5      2                   -4.22367E-02       0.00000E+00
   6      3                    1.87878E-01       0.00000E+00
   7      4                   -2.32206E-02       0.00000E+00
   8      5                   -2.07342E-03       0.00000E+00
   9      6                   -5.82849E-03       0.00000E+00
  10      7                    9.44781E-03       0.00000E+00
  11      8                    9.77035E-05       0.00000E+00
  12      9                    1.83619E-03       0.00000E+00
  13 9 0 ************ gly-ala
  14      1                   -9.17429E-03      -1.96219E-01
  15      2                   -8.31866E-02       2.90018E-03
  16      3                    5.81351E-02      -8.12807E-04
  17      4                   -6.46101E-02       3.69762E-02
  18      5                    7.05350E-03       1.64123E-02
  19      6                   -2.22516E-02       6.83829E-03
  20      7                    6.08638E-05       1.30833E-03
  21      8                    1.24480E-03      -4.70460E-04
  22      9                    1.89479E-03       4.57939E-03
  23 6 2 ************ gly-pro  (Fourier & Lorenz terms)
  24      1                   -6.29377E+01       7.94994E+02
  25      2                   -1.57115E+02      -2.53745E+01
  26      3                    7.78469E+00      -3.09645E+01
  27      4                    5.89894E+00       2.11374E+00
  28      5                   -4.70744E-01       1.17979E+00
  29      6                   -1.69426E-01      -1.45231E-01
  30      1                    1.47407E+00       2.31909E+00       1.89090E+00
  31      2                   -2.99099E+03       8.20701E-01      -7.58094E-01
  32 9 0 ************ ala-gly
  33      1                   -1.71323E-02      -5.33098E-02
  34      2                   -6.73551E-02      -2.65583E-03
  35      3                    8.68304E-02      -2.04180E-02
  36      4                   -2.56556E-02      -1.06470E-02
  37      5                    4.00853E-03      -1.20170E-02
  38      6                   -1.37169E-02      -9.86961E-03
  39      7                    5.59555E-03       5.81713E-03
  40      8                    1.43505E-03      -9.23775E-04
  41      9                    2.94551E-03       1.10550E-04
  42 9 0 ************ ala-ala
  43      1                    7.17808E-01      -2.80536E-01
  44      2                   -3.19850E-03      -2.28517E-01
  45      3                   -1.19235E-01      -9.40378E-02
  46      4                   -1.90344E-01       4.67520E-02
  47      5                   -4.36818E-02       7.67461E-02
  48      6                   -1.63565E-02       4.57325E-02
  49      7                    1.48605E-02       1.65545E-02
  50      8                    1.76965E-02      -3.34934E-03
  51      9                    8.92054E-03      -1.83369E-03
  52 6 2 ************ ala-pro  (Fourier & Lorenz terms)
  53      1                   -1.43349E+02      -2.50036E+02
  54      2                   -3.38702E+01       6.00680E+01
  55      3                    1.76058E+01      -4.09701E-01
  56      4                   -1.89906E+00      -3.60571E+00
  57      5                   -3.86004E-01       7.42600E-01
  58      6                    3.55668E-01      -4.61083E-02
  59      1                   -9.79346E+02       1.12309E+00       6.47193E-01
  60      2                    1.51391E+00      -2.56048E-01       1.03802E+01
  61 6 2 ************ pro-gly  (Fourier & Lorenz terms)
  62      1                   -2.91164E+01      -6.93998E+00
  63      2                    8.51333E+00       4.21408E+00
  64      3                   -2.23665E+00      -1.82531E+00
  65      4                    5.68169E-01       7.73934E-01
  66      5                   -1.17139E-01      -3.20346E-01
  67      6                    2.63495E-02       7.54858E-02
  68      1                   -9.04851E+01       1.66331E+00       1.92811E-01
  69      2                   -2.89914E-01       3.25195E+00       5.20685E+00
  70 6 2 ************ pro-ala  (Fourier & Lorenz terms)
  71      1                    8.45441E+01       1.06587E+02
  72      2                    1.07830E+01      -3.98498E+01
  73      3                   -1.13332E+01       3.83013E+00
  74      4                    2.27117E+00       1.92057E+00
  75      5                    5.92542E-02      -7.37466E-01
  76      6                   -1.52562E-01       2.64797E-02
  77      1                    3.71814E+02       1.42194E+00       6.44173E-01
  78      2                    5.12627E+01       1.76742E+00       1.32922E+00
  79 6 2 ************ pro-pro  (Fourier & Lorenz terms)
  80      1                   -1.08581E+05      -8.28308E+04
  81      2                   -5.08339E+03      -1.87045E+04
  82      3                    1.07330E+03      -2.54217E+03
  83      4                    3.51378E+02      -1.99180E+02
  84      5                    5.97847E+01       3.91890E+00
  85      6                    5.64993E+00       3.85053E+00
  86      1                    6.20737E+02       7.24435E-01       1.79620E+00
  87      2                    6.38285E+05       2.82481E-01      -8.33959E-01