# | Line 108 | Line 108 | SimInfo::SimInfo(std::vector<std::pair<MoleculeStamp*, | |
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108 | ||
109 | //calculate atoms in rigid bodies | |
110 | int nAtomsInRigidBodies = 0; | |
111 | < | int nRigidBodiesInStamp = molStamp->getNCutoffGroups(); |
111 | > | int nRigidBodiesInStamp = molStamp->getNRigidBodies(); |
112 | ||
113 | for (int j=0; j < nRigidBodiesInStamp; j++) { | |
114 | rbStamp = molStamp->getRigidBody(j); |
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