# | Line 116 | Line 116 | SimInfo* SimCreator::createSim(const std::string & md | |
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116 | simError(); | |
117 | } | |
118 | ||
119 | + | if (simParams->haveForceFieldFileName()) { |
120 | + | ff->setForceFieldFileName(simParams->getForceFieldFileName()); |
121 | + | } |
122 | + | |
123 | std::string forcefieldFileName; | |
124 | forcefieldFileName = ff->getForceFieldFileName(); | |
125 | ||
# | Line 549 | Line 553 | void SimCreator::setGlobalIndex(SimInfo *info) { | |
553 | ||
554 | #endif | |
555 | ||
556 | + | //rigidbody's index begins right after atom's |
557 | + | beginRigidBodyIndex += info->getNGlobalAtoms(); |
558 | + | |
559 | for(mol = info->beginMolecule(mi); mol != NULL; | |
560 | mol = info->nextMolecule(mi)) { | |
561 |
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