void IMGDock::reassignForces() { int i = 0; for (AtomIterator it = ligand_->beginAtom(); !it.isEnd(); it++) { it->setForce(old_forces_[i]); i++; } }
void IMGDock::storeForces() { int i = 0; for (AtomIterator it = ligand_->beginAtom(); !it.isEnd(); it++) { old_forces_[i] = it->getForce(); i++; } }