# | Line 150 | Line 150 | Molecule* MoleculeCreator::createMolecule(ForceField* | |
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150 | std::vector<Atom*>::iterator fai; | |
151 | ||
152 | for (fai = freeAtoms.begin(); fai != freeAtoms.end(); ++fai) { | |
153 | < | createCutoffGroup(mol, *fai); |
153 | > | cutoffGroup = createCutoffGroup(mol, *fai); |
154 | mol->addCutoffGroup(cutoffGroup); | |
155 | } | |
156 | //create constraints |
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