--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/03/27 20:48:37 427 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/03/27 21:52:21 429 @@ -354,6 +354,7 @@ void SimSetup::createSim( void ){ // set the arrays into the SimInfo object simnfo->atoms = the_atoms; + simnfo->molecules = the_molecules; simnfo->nGlobalExcludes = 0; simnfo->excludes = the_excludes;