--- trunk/OOPSE/libmdtools/SimSetup.cpp 2004/04/15 19:19:06 1115 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2004/04/15 22:15:21 1116 @@ -464,11 +464,11 @@ void SimSetup::makeMolecules(void){ // used for the exclude list: #ifdef IS_MPI - exI = info[k].atoms[tempI]->getGlobalIndex() + 1; - exJ = info[k].atoms[tempJ]->getGlobalIndex() + 1; + exI = molInfo.myAtoms[tempI]->getGlobalIndex() + 1; + exJ = molInfo.myAtoms[tempJ]->getGlobalIndex() + 1; #else - exI = tempI + 1; - exJ = tempJ + 1; + exI = molInfo.myAtoms[tempI]->getIndex() + 1; + exJ = molInfo.myAtoms[tempJ]->getIndex() + 1; #endif info[k].excludes->addPair(exI, exJ);