PARAM/torsion_abinitio.parm

   1 3  *** Parameters derived by integrating MP2/6-31G* 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 6 0 ************ gly-gly
   4      1                    6.35004E-02       0.000000
   5      2                   -6.75985E-03       0.000000
   6      3                    5.74750E-01       0.000000
   7      4                   -1.66273E-01       0.000000
   8      5                   -5.20008E-02       0.000000
   9      6                   -3.78163E-02       0.000000
  10 6 0 ************ gly-ala
  11      1                   -1.51141E-01       1.98876E-01
  12      2                    5.73085E-02      -2.10169E-01
  13      3                   -1.07000E-01      -2.48817E-01
  14      4                   -2.21418E-02      -2.78610E-03
  15      5                   -5.40591E-02      -1.39925E-02
  16      6                    2.76914E-02      -3.10091E-02
  17 2 1 ************ gly-pro  (Fourier & Lorenz terms)
  18      1                    3.58815E+00      -6.18555E+00
  19      2                    1.18300E+00       2.10528E+00
  20      1                    2.35924E+01       2.10291E+00      -1.21241E+00
  21 6 0 ************ ala-gly
  22      1                   -1.76934E-01      -2.95784E-01
  23      2                   -3.94583E-02       7.99768E-02
  24      3                   -7.94499E-02       2.08683E-01
  25      4                   -4.83252E-02       2.30799E-02
  26      5                    1.42841E-02       5.21727E-03
  27      6                    2.72334E-02       1.73466E-02
  28 6 0 ************ ala-ala
  29      1                    6.29561E-01      -2.76759E-02
  30      2                   -1.26216E-01      -1.61773E-01
  31      3                    5.26163E-02      -8.63002E-02
  32      4                   -7.68292E-03      -6.35089E-03
  33      5                   -3.91270E-02       1.07593E-03
  34      6                   -2.51084E-02       1.12922E-02
  35 3 1 ************ ala-pro  (Fourier & Lorenz terms)
  36      1                    1.25210E-01      -2.84716E+00
  37      2                   -6.72939E-01       2.44422E+00
  38      3                    8.80932E-02      -4.46634E-01
  39      1                    1.31015E+01       4.86642E+00      -2.20587E+00
  40 6 0 ************ pro-gly  (Fourier terms)
  41      1                    2.51979E-01       3.01934E-01
  42      2                    2.94487E-02       1.27022E-02
  43      3                    5.38800E-01      -1.47783E-01
  44      4                   -1.66948E-01      -2.19797E-01
  45      5                   -6.26792E-02      -7.01688E-02
  46      6                   -4.22468E-03       6.02541E-02
  47 3 1 ************ pro-ala  (Fourier & Lorenz terms)
  48      1                   -1.40045E+00       7.51935E-01
  49      1                   -1.50963E-01      -3.63903E-01
  50      1                    2.96388E-01       1.57041E-01
  51      1                    2.02573E+00       2.44788E+00       5.53214E+00
  52 6 0 ************ pro-pro  (Fourier)
  53      1                    5.90861E+00       1.06847E+00
  54      2                    6.74640E-01       7.18596E-01
  55      3                    6.27177E-01       7.23459E-01
  56      4                   -4.58126E-01       1.05000E-01
  57      5                   -1.74840E-01      -6.45266E-02
  58      6                   -4.17809E-04      -9.28629E-02