| Revision: | 1649 |
| Committed: | Tue Oct 26 22:24:30 2004 UTC (21 years ago) by gezelter |
| File size: | 1587 byte(s) |
| Log Message: | adding sample shape directory |
| # | Content |
|---|---|
| 1 | begin ShapeInfo |
| 2 | #name mass I_xx I_yy I_zz |
| 3 | samples/5CB 249.34 5080 4988.37 299.259 |
| 4 | end ShapeInfo |
| 5 | |
| 6 | begin ContactFunctions |
| 7 | #l m sin or cos coeff (Ang) |
| 8 | 0 0 cos 6.67539 |
| 9 | 1 0 cos 0.149529 |
| 10 | 1 1 cos 0.635753 |
| 11 | 1 1 sin -0.751498 |
| 12 | 2 0 cos 6.69339 |
| 13 | 2 1 cos -0.273088 |
| 14 | 2 1 sin 0.424598 |
| 15 | 2 2 sin 0.313698 |
| 16 | 3 0 cos -0.319869 |
| 17 | 3 1 cos -0.29585 |
| 18 | 3 1 sin 0.333415 |
| 19 | 3 2 cos -0.123565 |
| 20 | 4 0 cos 3.6496 |
| 21 | 4 1 cos 0.0837039 |
| 22 | 4 1 sin -0.21244 |
| 23 | 4 2 cos -0.083588 |
| 24 | 5 0 cos -0.762534 |
| 25 | 5 1 cos -0.285864 |
| 26 | 5 1 sin 0.292037 |
| 27 | 6 0 cos 1.44609 |
| 28 | 6 1 cos 0.0903364 |
| 29 | 6 1 sin -0.127972 |
| 30 | 7 0 cos 0.197408 |
| 31 | 7 1 cos -0.118494 |
| 32 | 7 1 sin 0.191169 |
| 33 | end ContactFunctions |
| 34 | |
| 35 | begin RangeFunctions |
| 36 | #l m sin or cos coeff (Ang) |
| 37 | 0 0 cos 5.44658 |
| 38 | 1 0 cos 0.0632037 |
| 39 | 1 1 cos -0.52882 |
| 40 | 1 1 sin 0.610472 |
| 41 | 2 0 cos 2.24084 |
| 42 | 2 1 sin -0.125628 |
| 43 | 2 2 sin -0.173986 |
| 44 | 3 0 cos -0.637874 |
| 45 | 3 1 cos -0.221694 |
| 46 | 3 1 sin 0.248658 |
| 47 | 4 0 cos -1.12188 |
| 48 | 4 1 cos 0.0670607 |
| 49 | 4 1 sin -0.174457 |
| 50 | 4 2 cos 0.0561655 |
| 51 | 5 0 cos 0.497503 |
| 52 | 6 0 cos -1.63769 |
| 53 | 6 1 sin 0.171199 |
| 54 | 7 0 cos 0.588257 |
| 55 | 7 1 cos 0.205997 |
| 56 | 7 1 sin -0.183177 |
| 57 | end RangeFunctions |
| 58 | |
| 59 | begin StrengthFunctions |
| 60 | #l m sin or cos coeff (kcal/mol) |
| 61 | 0 0 cos 2.97757 |
| 62 | 1 0 cos 0.189304 |
| 63 | 1 1 cos -0.441276 |
| 64 | 1 1 sin 0.505029 |
| 65 | 2 0 cos -1.43847 |
| 66 | 2 1 cos 0.317575 |
| 67 | 2 1 sin -0.46598 |
| 68 | 2 2 sin -0.584705 |
| 69 | 3 1 cos 0.146781 |
| 70 | 3 1 sin -0.0780084 |
| 71 | 3 2 cos 0.191196 |
| 72 | 3 2 sin 0.0498085 |
| 73 | 4 0 cos -1.10883 |
| 74 | 4 1 cos -0.0799548 |
| 75 | 4 1 sin 0.304604 |
| 76 | 4 2 cos 0.120765 |
| 77 | 4 2 sin 0.0839781 |
| 78 | 5 0 cos 0.209929 |
| 79 | 5 1 cos 0.16519 |
| 80 | 5 1 sin -0.111474 |
| 81 | 5 2 sin -0.0399974 |
| 82 | 6 0 cos -0.299942 |
| 83 | 7 0 cos -0.394328 |
| 84 | 7 1 sin -0.0804759 |
| 85 | end StrengthFunctions |