| # | Line 51 | Line 51 | DUFF::DUFF(){ | |
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| 51 | ||
| 52 | DUFF::DUFF(){ | |
| 53 | ||
| 54 | + | //set default force field filename |
| 55 | + | setForceFieldFileName("DUFF.frc"); |
| 56 | + | |
| 57 | //the order of adding section parsers are important | |
| 58 | //DirectionalAtomTypesSectionParser should be added before AtomTypesSectionParser Since | |
| 59 | //These two section parsers will actually create "real" AtomTypes (AtomTypesSectionParser will create | |
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