--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/03/28 19:33:37 435 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/04/02 22:19:03 443 @@ -314,6 +314,7 @@ void SimSetup::createSim( void ){ if(mol2proc[i] == worldRank ){ the_molecules[molIndex].setStampID( molCompType[i] ); + the_molecules[molIndex].setMyIndex( molIndex ); molIndex++; } } @@ -324,6 +325,7 @@ void SimSetup::createSim( void ){ for(i=0; in_SRI ){ - - std::cerr << "n_SRI = " << simnfo->n_SRI << "\n"; Exclude::createArray(simnfo->n_SRI); the_excludes = new Exclude*[simnfo->n_SRI]; for( int ex=0; exn_SRI; ex++) the_excludes[ex] = new Exclude(ex); simnfo->globalExcludes = new int; - simnfo->n_exclude = tot_SRI; + simnfo->n_exclude = simnfo->n_SRI; } else{ @@ -932,6 +932,8 @@ void SimSetup::makeMolecules( void ){ the_molecules[i].initialize( info ); + + atomOffset += info.nAtoms; delete[] theBonds; delete[] theBends;