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[unres.git] / PARAM / tor_opt_iter1_7p_old.parm
1 3  ***  Optimized torsional parameters 7p_wham_last  ***  
2  2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3
3  6 0  ************  G-G
4      1                    3.89266E-01       0.00000E+00
5      2                    4.18662E-01       0.00000E+00
6      3                   -4.85875E-03       0.00000E+00
7      4                   -2.28912E-01       0.00000E+00
8      5                   -1.32435E-01       0.00000E+00
9      6                   -3.25567E-02       0.00000E+00
10  6 0  ************  G-A
11      1                    4.48732E-01      -6.17446E-01
12      2                   -7.19420E-02      -2.81509E-01
13      3                    8.55553E-02       9.54595E-02
14      4                   -1.78171E-01       2.81875E-01
15      5                   -3.35660E-02       2.20930E-01
16      6                    7.48948E-02      -1.48385E-01
17 10 0  ************  G-P
18      1                   -1.02764E+00       7.71574E-01
19      2                    6.60187E-01       4.73949E-01
20      3                    3.06766E-01       6.26077E-02
21      4                    1.12028E-01      -2.20307E-03
22      5                    1.41205E-01       4.63242E-01
23      6                   -2.32839E-01       2.16374E-01
24      7                    4.45175E-02      -2.13921E-01
25      8                    2.13415E-01       1.05584E-01
26      9                   -1.06794E-01       1.83807E-01
27     10                   -1.58917E-01      -4.77027E-02
28  6 0  ************  A-G
29      1                   -5.35331E-01       3.07619E-01
30      2                   -4.40634E-03       2.42563E-01
31      3                    4.08626E-01      -1.26381E-01
32      4                   -3.75632E-01      -1.24731E-01
33      5                    1.54159E-01      -4.34413E-02
34      6                   -5.10726E-03      -8.98940E-02
35  6 0  ************  A-A
36      1                    7.57412E-01       2.41619E-01
37      2                    3.16517E-01      -4.83719E-01
38      3                    2.94869E-01      -3.00853E-02
39      4                   -1.18430E-01       6.30789E-02
40      5                    1.39669E-02       6.86930E-02
41      6                    5.15960E-03       2.89140E-02
42 10 0  ************  A-P
43      1                    1.24599E+00       3.28913E+00
44      2                    3.71946E-01       6.21240E-01
45      3                    1.72894E-01       5.10551E-01
46      4                   -4.30010E-01       1.34074E-01
47      5                   -1.04165E-01      -1.24492E-01
48      6                    1.84767E-01       1.76351E-01
49      7                    9.14037E-02       1.45966E-01
50      8                    2.88613E-01       2.65632E-01
51      9                   -5.37851E-02       5.01514E-01
52     10                   -2.33602E-01       1.43541E-01
53 10 0  ************  P-G
54      1                    2.12359E-02       4.05506E-02
55      2                   -1.19424E-01       2.91087E-01
56      3                    3.81770E-01      -1.11839E-01
57      4                   -9.75339E-02      -7.60089E-02
58      5                   -5.00214E-02       3.42037E-02
59      6                    8.12296E-02       3.98713E-02
60      7                   -1.21613E-02      -4.57682E-02
61      8                    6.95870E-03       2.28245E-02
62      9                    2.02598E-02      -2.00100E-02
63     10                   -1.48685E-02      -1.09627E-02
64 10 0  ************  P-A
65      1                   -1.44568E+00       4.48810E-01
66      2                    2.44809E-01      -9.84525E-02
67      3                    7.10743E-02      -7.82747E-02
68      4                    6.10521E-02       1.26535E-01
69      5                   -1.06073E-01      -5.66209E-02
70      6                   -2.54567E-02       1.39995E-01
71      7                    8.12043E-02       4.96622E-02
72      8                   -1.02693E-01       2.65604E-02
73      9                   -4.64168E-02      -6.09468E-02
74     10                   -1.28754E-01      -4.35563E-02
75 10 0  ************  P-P
76      1                    4.99994E+00       1.02894E+00
77      2                    3.01919E+00      -1.08282E+00
78      3                    1.44640E+00      -1.36232E+00
79      4                    1.53375E-01      -8.06450E-01
80      5                   -1.13926E+00      -2.92452E-01
81      6                   -2.18888E+00      -1.79960E-01
82      7                   -2.71687E+00       2.89616E-01
83      8                   -2.52591E+00       9.09040E-01
84      9                   -1.45928E+00       1.12958E+00
85     10                   -4.89916E-01       3.69826E-01