| # | Line 52 | Line 52 | void ForceFields::doForces( int calcPot, int calcStres | |
|---|---|---|
| 52 | entry_plug->atoms[i]->zeroForces(); | |
| 53 | } | |
| 54 | ||
| 55 | < | for(i=0; i<entry_plug->n_SRI; i++ ){ |
| 56 | < | entry_plug->sr_interactions[i]->calc_forces(); |
| 55 | > | for(i=0; i<entry_plug->n_mol; i++ ){ |
| 56 | > | entry_plug->molecules[i]->calc_forces(); |
| 57 | } | |
| 58 | ||
| 59 | frc = Atom::getFrcArray(); | |
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