| Revision: | 156 |
| Committed: | Tue Oct 26 22:24:30 2004 UTC (20 years, 7 months ago) by gezelter |
| File size: | 506 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 | linear 48.0428 86.477 86.477 0 | ||
| 4 | end ShapeInfo | ||
| 5 | |||
| 6 | begin ContactFunctions | ||
| 7 | #l m sin or cos coeff (Ang) | ||
| 8 | 0 0 cos 4.32851 | ||
| 9 | 2 0 cos 2.64072 | ||
| 10 | 6 0 cos -0.146442 | ||
| 11 | end ContactFunctions | ||
| 12 | |||
| 13 | begin RangeFunctions | ||
| 14 | #l m sin or cos coeff (Ang) | ||
| 15 | 0 0 cos 3.56035 | ||
| 16 | 2 0 cos 0.28064 | ||
| 17 | 4 0 cos 0.104529 | ||
| 18 | 6 0 cos 0.285028 | ||
| 19 | end RangeFunctions | ||
| 20 | |||
| 21 | begin StrengthFunctions | ||
| 22 | #l m sin or cos coeff (kcal/mol) | ||
| 23 | 0 0 cos 0.705782 | ||
| 24 | 2 0 cos -0.793274 | ||
| 25 | 4 0 cos 0.3388 | ||
| 26 | 6 0 cos -0.045476 | ||
| 27 | end StrengthFunctions |