--- trunk/OOPSE/libmdtools/SimSetup.cpp	2003/04/08 21:35:49	481
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2003/04/09 04:06:43	483
@@ -485,8 +485,12 @@ void SimSetup::createSim( void ){
 
   makeMolecules();
   simnfo->identArray = new int[simnfo->n_atoms];
+  simnfo->molMembershipArray = new int[simnfo->n_atoms];
   for(i=0; i<simnfo->n_atoms; i++){
     simnfo->identArray[i] = the_atoms[i]->getIdent();
+  }
+  for(i=0; i< simnfo->n_mol; i++) {
+    the_molecules[i].atomicRollCall(simnfo->molMembershipArray);
   }
   
   if (the_globals->getUseRF() ) {
@@ -728,13 +732,9 @@ void SimSetup::createSim( void ){
 
   if( !strcmp( force_field, "TraPPE_Ex" ) ){
     new Symplectic(simnfo, the_ff, the_extendedsystem);
-    std::cerr << "called new Symplecic\n";
-    fprintf( stderr, "called new Symplectic. stderr\n" );
   }
   else if( !strcmp( force_field, "LJ" ) ){
     new Verlet( *simnfo, the_ff, the_extendedsystem );
-    std::cerr << "called new Verlet\n";
-    fprintf( stderr, "called new Verlet. stderr\n" );
   }
   else {
     std::cerr << "I'm a bug.\n";