# | Line 44 | Line 44 | DUFF::DUFF(){ | |
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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 |
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