PARAM/torsion_631Gdp_old_ext.parm

   1 3  *** Parameters derived by integrating MP2/6-31G** local energy surfaces ***
   2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 0
   3  0 0 ** Gly-D-Pro-reg
   4  0 0 ** Gly-D-Ala-reg
   5  6 0 ************ G-G
   6      1                    4.03053E-03       0.0
   7      2                   -4.90330E-03       0.0
   8      3                    2.70952E-01       0.0
   9      4                   -7.20927E-02       0.0
  10      5                   -3.66258E-03       0.0
  11      6                   -6.34294E-03       0.0
  12  6 0 ************ G-A
  13      1                    1.27465E-02      -1.01763E-01
  14      2                   -8.41985E-03       1.18716E-02
  15      3                    2.50582E-01       3.30235E-02
  16      4                   -1.02631E-01       1.46337E-01
  17      5                    6.63161E-03       8.86275E-03
  18      6                   -6.81049E-03       8.71641E-03
  19 10 0 ************ G-P
  20      1                   -1.14953E+00       1.29720E+00
  21      2                   -1.08859E-03      -1.20321E-02
  22      3                    4.04229E-01       2.92750E-01
  23      4                   -2.41994E-01       5.38295E-02
  24      5                    4.31804E-02      -6.56306E-02
  25      6                    4.29080E-02       1.38685E-01
  26      7                   -6.31286E-02      -2.65338E-02
  27      8                    1.46743E-02      -3.26658E-03
  28      9                   -1.33460E-02       3.01470E-02
  29      0                   -1.11258E-02      -3.15723E-02
  30  0 0 ****** Ala-D-Pro
  31  0 0 ****** Ala-D-Ala
  32  6 0 ************ A-G
  33      1                    5.14830E-03       9.48478E-02
  34      2                   -8.85552E-02       1.20661E-01
  35      3                    2.65903E-01      -8.99192E-02
  36      4                   -6.16552E-02      -6.07952E-02
  37      5                    2.19209E-02      -3.09487E-02
  38      6                   -1.58136E-02      -1.74252E-02
  39  6 0 ************ A-A
  40      1                    1.05084E+00      -1.83406E-03
  41      2                    2.56198E-01       3.75825E-02
  42      3                    2.97224E-01      -6.65886E-03
  43      4                   -9.30144E-02       2.78499E-02
  44      5                    2.69127E-02      -2.79813E-03
  45      6                   -5.69348E-03      -5.76679E-03
  46 10 0 ************ A-P
  47      1                    1.97348E+00       3.61809E+00
  48      2                    3.25172E-01       6.93324E-01
  49      3                    7.44811E-01       2.28853E-01
  50      4                   -1.11515E-02       4.21766E-01
  51      5                   -1.09160E-01       4.09945E-02
  52      6                    1.08618E-01       6.71048E-03
  53      7                    1.21785E-02       9.37813E-02
  54      8                   -2.77282E-02       2.84981E-02
  55      9                    2.15879E-02       1.85528E-02
  56      0                   -8.56980E-03       3.92482E-02
  57  0 0 ** Pro-D-Por
  58  0 0 ** Pro-D-Ala
  59 10 0 ************ P-G
  60      1                    2.12359E-02       4.05506E-02
  61      2                   -1.19424E-01       2.91087E-01
  62      3                    3.81770E-01      -1.11839E-01
  63      4                   -9.75339E-02      -7.60089E-02
  64      5                   -5.00214E-02       3.42037E-02
  65      6                    8.12296E-02       3.98713E-02
  66      7                   -1.21613E-02      -4.57682E-02
  67      8                    6.95870E-03       2.28245E-02
  68      9                    2.02598E-02      -2.00100E-02
  69      0                   -1.48685E-02      -1.09627E-02
  70 10 0 ************ P-A
  71      1                    1.40539E+00      -7.42879E-01
  72      2                    9.21075E-02      -1.17205E-01
  73      3                    4.49479E-01       3.82888E-02
  74      4                    8.11975E-02      -3.35594E-02
  75      5                   -9.88964E-03      -4.63759E-02
  76      6                    8.58396E-02       4.22362E-02
  77      7                    2.73049E-02      -5.43392E-02
  78      8                   -4.18620E-03      -1.04889E-02
  79      9                    1.06804E-02      -7.89066E-03
  80      0                   -5.01879E-03      -1.20569E-02
  81 10 0 ************ P-P
  82      1                    4.23219E+00       1.42318E+00
  83      2                    1.24967E+00      -2.32575E-01
  84      3                    5.38690E-01      -4.25507E-01
  85      4                    4.01096E-01      -6.42186E-01
  86      5                    2.52852E-01      -2.32257E-01
  87      6                   -3.06406E-02      -2.48617E-01
  88      7                   -1.68086E-02      -1.55069E-01
  89      8                   -9.68421E-02      -1.80718E-01
  90      9                   -2.73541E-02      -1.36915E-01
  91      0                   -6.08829E-02      -6.71426E-02
  92  0 0 ** Gly-D-Pro-reg
  93  0 0 ** Gly-D-Ala-reg
  94  6 0 ************ G-G
  95      1                    4.03053E-03       0.0
  96      2                   -4.90330E-03       0.0
  97      3                    2.70952E-01       0.0
  98      4                   -7.20927E-02       0.0
  99      5                   -3.66258E-03       0.0
 100      6                   -6.34294E-03       0.0
 101  6 0 ************ G-A
 102      1                    1.27465E-02      -1.01763E-01
 103      2                   -8.41985E-03       1.18716E-02
 104      3                    2.50582E-01       3.30235E-02
 105      4                   -1.02631E-01       1.46337E-01
 106      5                    6.63161E-03       8.86275E-03
 107      6                   -6.81049E-03       8.71641E-03
 108 10 0 ************ G-P
 109      1                   -1.14953E+00       1.29720E+00
 110      2                   -1.08859E-03      -1.20321E-02
 111      3                    4.04229E-01       2.92750E-01
 112      4                   -2.41994E-01       5.38295E-02
 113      5                    4.31804E-02      -6.56306E-02
 114      6                    4.29080E-02       1.38685E-01
 115      7                   -6.31286E-02      -2.65338E-02
 116      8                    1.46743E-02      -3.26658E-03
 117      9                   -1.33460E-02       3.01470E-02
 118      0                   -1.11258E-02      -3.15723E-02
 119  0 0 ****** Ala-D-Pro
 120  0 0 ****** Ala-D-Ala
 121  6 0 ************ A-G
 122      1                    5.14830E-03       9.48478E-02
 123      2                   -8.85552E-02       1.20661E-01
 124      3                    2.65903E-01      -8.99192E-02
 125      4                   -6.16552E-02      -6.07952E-02
 126      5                    2.19209E-02      -3.09487E-02
 127      6                   -1.58136E-02      -1.74252E-02
 128  6 0 ************ A-A
 129      1                    1.05084E+00      -1.83406E-03
 130      2                    2.56198E-01       3.75825E-02
 131      3                    2.97224E-01      -6.65886E-03
 132      4                   -9.30144E-02       2.78499E-02
 133      5                    2.69127E-02      -2.79813E-03
 134      6                   -5.69348E-03      -5.76679E-03
 135 10 0 ************ A-P
 136      1                    1.97348E+00       3.61809E+00
 137      2                    3.25172E-01       6.93324E-01
 138      3                    7.44811E-01       2.28853E-01
 139      4                   -1.11515E-02       4.21766E-01
 140      5                   -1.09160E-01       4.09945E-02
 141      6                    1.08618E-01       6.71048E-03
 142      7                    1.21785E-02       9.37813E-02
 143      8                   -2.77282E-02       2.84981E-02
 144      9                    2.15879E-02       1.85528E-02
 145      0                   -8.56980E-03       3.92482E-02
 146  0 0 ** Pro-D-Por
 147  0 0 ** Pro-D-Ala
 148 10 0 ************ P-G
 149      1                    2.12359E-02       4.05506E-02
 150      2                   -1.19424E-01       2.91087E-01
 151      3                    3.81770E-01      -1.11839E-01
 152      4                   -9.75339E-02      -7.60089E-02
 153      5                   -5.00214E-02       3.42037E-02
 154      6                    8.12296E-02       3.98713E-02
 155      7                   -1.21613E-02      -4.57682E-02
 156      8                    6.95870E-03       2.28245E-02
 157      9                    2.02598E-02      -2.00100E-02
 158      0                   -1.48685E-02      -1.09627E-02
 159 10 0 ************ P-A
 160      1                    1.40539E+00      -7.42879E-01
 161      2                    9.21075E-02      -1.17205E-01
 162      3                    4.49479E-01       3.82888E-02
 163      4                    8.11975E-02      -3.35594E-02
 164      5                   -9.88964E-03      -4.63759E-02
 165      6                    8.58396E-02       4.22362E-02
 166      7                    2.73049E-02      -5.43392E-02
 167      8                   -4.18620E-03      -1.04889E-02
 168      9                    1.06804E-02      -7.89066E-03
 169      0                   -5.01879E-03      -1.20569E-02
 170 10 0 ************ P-P
 171      1                    4.23219E+00       1.42318E+00
 172      2                    1.24967E+00      -2.32575E-01
 173      3                    5.38690E-01      -4.25507E-01
 174      4                    4.01096E-01      -6.42186E-01
 175      5                    2.52852E-01      -2.32257E-01
 176      6                   -3.06406E-02      -2.48617E-01
 177      7                   -1.68086E-02      -1.55069E-01
 178      8                   -9.68421E-02      -1.80718E-01
 179      9                   -2.73541E-02      -1.36915E-01
 180      0                   -6.08829E-02      -6.71426E-02