| Revision: | 156 |
| Committed: | Tue Oct 26 22:24:30 2004 UTC (20 years, 7 months ago) by gezelter |
| File size: | 1640 byte(s) |
| Log Message: | adding sample shape directory |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 156 | 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 |