| # | Line 11 | Line 11 | end Options | |
|---|---|---|
| 11 | GayBerneNu = 1.0 | |
| 12 | end Options | |
| 13 | ||
| 14 | < | begin AtomTypes |
| 14 | > | begin BaseAtomTypes |
| 15 | //Name mass (amu) | |
| 16 | CH4 16.05 | |
| 17 | CH3 15.04 | |
| # | Line 76 | Line 76 | DPD 72.06112 | |
| 76 | Pchg- 5.000 | |
| 77 | PDIP 10.000 | |
| 78 | DPD 72.06112 | |
| 79 | < | end AtomTypes |
| 79 | > | end BaseAtomTypes |
| 80 | ||
| 81 | begin DirectionalAtomTypes | |
| 82 | //Name I_xx I_yy I_zz (All moments in (amu*Ang^2) | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |