--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/04/11 15:16:59 490 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/04/11 18:46:37 491 @@ -298,6 +298,7 @@ void SimSetup::createSim( void ){ simnfo->n_torsions = tot_torsions; simnfo->n_SRI = tot_SRI; simnfo->n_mol = tot_nmol; + simnfo->molMembershipArray = new int[tot_atoms]; #ifdef IS_MPI @@ -347,12 +348,6 @@ void SimSetup::createSim( void ){ } local_SRI = local_bonds + local_bends + local_torsions; - if (worldRank != 0) { - for (i =0; i < tot_atoms; i++){ - std::cerr << "i = " << i << " molMembershipArray[i] = " << simnfo->molMembershipArray[i] << "\n"; - } - } - simnfo->n_atoms = mpiSim->getMyNlocal(); if( local_atoms != simnfo->n_atoms ){