| Revision: | 156 |
| Committed: | Tue Oct 26 22:24:30 2004 UTC (20 years, 6 months ago) by gezelter |
| File size: | 506 byte(s) |
| Log Message: | adding sample shape directory |
| # | Content |
|---|---|
| 1 | 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 |