--- trunk/OOPSE/libmdtools/SimInfo.cpp 2004/05/27 00:48:12 1198 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2004/05/27 18:59:17 1203 @@ -445,7 +445,7 @@ void SimInfo::refreshSim(){ excl = excludes->getFortranArray(); #ifdef IS_MPI - n_global = mpiSim->getTotAtoms(); + n_global = mpiSim->getNAtomsGlobal(); #else n_global = n_atoms; #endif @@ -601,7 +601,11 @@ void getFortranGroupArray(SimInfo* info, vectorbeginAtom(iterAtom); cutoffAtom != NULL; cutoffAtom = myCutoffGroup->nextAtom(iterAtom)){ mfact.push_back(cutoffAtom->getMass()/totalMass); +#ifdef IS_MPI + groupList.push_back(cutoffAtom->getGlobalIndex() + 1); +#else groupList.push_back(cutoffAtom->getIndex() + 1); +#endif } groupStart.push_back(curIndex); @@ -613,6 +617,5 @@ void getFortranGroupArray(SimInfo* info, vector