| # | Line 44 | Line 44 | DUFF::DUFF(){ | |
|---|---|---|
| 44 | DUFF::DUFF(){ | |
| 45 | ||
| 46 | //set default force field filename | |
| 47 | < | setForceFieldFileName("DUFF.frc"); |
| 47 | > | setForceFieldFileName("DUFF2.frc"); |
| 48 | ||
| 49 | //the order of adding section parsers are important | |
| 50 | //DirectionalAtomTypesSectionParser should be added before AtomTypesSectionParser Since | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |