| Revision: | 1649 |
| Committed: | Tue Oct 26 22:24:30 2004 UTC (19 years, 8 months ago) by gezelter |
| File size: | 1640 byte(s) |
| Log Message: | adding sample shape directory |
| # | Content |
|---|---|
| 1 | begin ShapeInfo |
| 2 | #name mass I_xx I_yy I_zz |
| 3 | samples/cholesterol 386.633 8364.52 8197.08 953.438 |
| 4 | end ShapeInfo |
| 5 | |
| 6 | begin ContactFunctions |
| 7 | #l m sin or cos coeff (Ang) |
| 8 | 0 0 cos 8.08271 |
| 9 | 1 0 cos 0.182036 |
| 10 | 1 1 cos 0.253902 |
| 11 | 1 1 sin 0.398577 |
| 12 | 2 0 cos 6.31258 |
| 13 | 2 1 cos -0.427814 |
| 14 | 2 1 sin 0.402126 |
| 15 | 2 2 cos -0.143667 |
| 16 | 3 1 sin -0.360949 |
| 17 | 3 2 cos 0.201606 |
| 18 | 3 2 sin -0.122015 |
| 19 | 4 0 cos 3.21319 |
| 20 | 4 1 cos 0.225765 |
| 21 | 4 1 sin -0.203497 |
| 22 | 5 0 cos 1.52969 |
| 23 | 5 1 sin -0.412765 |
| 24 | 6 0 cos 1.38663 |
| 25 | 6 1 cos 0.177589 |
| 26 | 6 1 sin -0.159112 |
| 27 | 7 0 cos -0.419093 |
| 28 | 7 1 sin -0.115856 |
| 29 | end ContactFunctions |
| 30 | |
| 31 | begin RangeFunctions |
| 32 | #l m sin or cos coeff (Ang) |
| 33 | 0 0 cos 5.28971 |
| 34 | 1 0 cos -0.0973178 |
| 35 | 1 1 cos -0.31269 |
| 36 | 1 1 sin -0.147665 |
| 37 | 2 0 cos 1.39281 |
| 38 | 2 1 cos 0.128909 |
| 39 | 2 1 sin -0.267474 |
| 40 | 2 2 cos 0.0791657 |
| 41 | 2 2 sin -0.117299 |
| 42 | 3 0 cos 0.979476 |
| 43 | 3 1 cos -0.0905646 |
| 44 | 3 1 sin -0.364316 |
| 45 | 3 2 cos -0.0776459 |
| 46 | 4 0 cos -0.782164 |
| 47 | 4 1 cos 0.239948 |
| 48 | 4 1 sin -0.268325 |
| 49 | 5 0 cos -0.289701 |
| 50 | 5 1 cos -0.167086 |
| 51 | 5 1 sin 0.119362 |
| 52 | 6 0 cos -1.5775 |
| 53 | 6 1 cos -0.103359 |
| 54 | 7 0 cos -0.405524 |
| 55 | 7 1 cos 0.140026 |
| 56 | 7 1 sin 0.194795 |
| 57 | end RangeFunctions |
| 58 | |
| 59 | begin StrengthFunctions |
| 60 | #l m sin or cos coeff (kcal/mol) |
| 61 | 0 0 cos 3.04609 |
| 62 | 1 0 cos -0.46446 |
| 63 | 1 1 cos -0.667651 |
| 64 | 1 1 sin 0.282871 |
| 65 | 2 0 cos -0.829839 |
| 66 | 2 1 cos 0.536839 |
| 67 | 2 1 sin -0.505015 |
| 68 | 2 2 cos 0.221752 |
| 69 | 3 0 cos 1.30185 |
| 70 | 3 1 sin -0.0340845 |
| 71 | 3 2 cos -0.27735 |
| 72 | 3 2 sin 0.133284 |
| 73 | 3 3 sin 0.0843722 |
| 74 | 4 0 cos -1.40692 |
| 75 | 4 1 cos -0.149946 |
| 76 | 4 1 sin 0.204828 |
| 77 | 4 3 sin -0.0306422 |
| 78 | 5 0 cos -1.74483 |
| 79 | 5 1 cos 0.195266 |
| 80 | 5 1 sin 0.265141 |
| 81 | 6 0 cos -0.354888 |
| 82 | 6 1 cos -0.0803632 |
| 83 | 6 1 sin 0.131161 |
| 84 | 7 0 cos 0.985402 |
| 85 | 7 1 cos -0.0785496 |
| 86 | 7 1 sin 0.0534042 |
| 87 | end StrengthFunctions |