--- trunk/mdtools/interface_implementation/SimSetup.cpp	2002/12/06 21:20:39	197
+++ trunk/mdtools/interface_implementation/SimSetup.cpp	2002/12/06 21:20:42	198
@@ -161,15 +161,51 @@ void SimSetup::createSim( void ){
 #endif // is_mpi
 
   // make an array of molecule stamps that match the components used.
+  // also extract the used stamps out into a separate linked list
 
+  simnfo->nComponents = n_components;
+  simnfo->componentsNmol = components_nmol;
+  simnfo->compStamps = comp_stamps;
+  simnfo->headStamp = new LinkedMolStamp();
+  
+  char* id;
+  LinkedMolStamp* headStamp = simnfo->headStamp;
+  LinkedMolStamp* currentStamp = NULL;
   for( i=0; i<n_components; i++ ){
 
-    comp_stamps[i] =
-      the_stamps->getMolecule( the_components[i]->getType() );
+    id = the_components[i]->getType();
+    comp_stamps[i] = NULL;
+    
+    // check to make sure the component isn't already in the list
+
+    comp_stamps[i] = headStamp->match( id );
+    if( comp_stamps[i] == NULL ){
+      
+      // extract the component from the list;
+      
+      currentStamp = the_stamps->extractMolStamp( id );
+      if( currentStamp == NULL ){
+	sprintf( painCave.errMsg,
+		 "SimSetup error: Component \"%s\" was not found in the "
+		 "list of declared molecules\n"
+		 id );
+	painCave.isFatal = 1;
+	simError();
+      }
+      
+      headStamp->add( currentStamp );
+      comp_stamps[i] = headStamp->match( id );
+    }
   }
 
+#ifdef IS_MPI
+  strcpy( checkPointMsg, "Component stamps successfully extracted\n" );
+  MPIcheckPoint();
+#endif // is_mpi
+  
 
 
+
   // caclulate the number of atoms, bonds, bends and torsions
 
   tot_atoms = 0;