--- trunk/mdtools/interface_implementation/SimSetup.cpp	2002/11/26 21:04:43	189
+++ trunk/mdtools/interface_implementation/SimSetup.cpp	2002/12/05 18:53:40	195
@@ -191,17 +191,30 @@ void SimSetup::createSim( void ){
   simnfo->n_bends = tot_bends;
   simnfo->n_torsions = tot_torsions;
   simnfo->n_SRI = tot_SRI;
+  simnfo->n_mol = tot_nmol;
 
+  
+#ifdef IS_MPI
+
+  // divide the molecules among processors here.
+  
+  new mpiSimulation( simnfo );
+  
+  simnfo->mpiSim->divideLabor( n_components, comp_stamps, components_nmol );
+
+#endif // is_mpi
+  
+
   // create the atom and short range interaction arrays
 
-  Atom::createArrays(tot_atoms);
-  the_atoms = new Atom*[tot_atoms];
-  the_molecules = new Molecule[tot_nmol];
+  Atom::createArrays(simnfo->n_atoms);
+  the_atoms = new Atom*[simnfo->n_atoms];
+  the_molecules = new Molecule[simnfo->n_mol];
 
 
-  if( tot_SRI ){
-    the_sris = new SRI*[tot_SRI];
-    the_excludes = new ex_pair[tot_SRI];
+  if( simnfo->n_SRI ){
+    the_sris = new SRI*[simnfo->n_SRI];
+    the_excludes = new ex_pair[simnfo->n_SRI];
   }
 
   // set the arrays into the SimInfo object
@@ -230,7 +243,6 @@ void SimSetup::createSim( void ){
     makeTorsions();
   }
 
-  //  makeMolecules();
 
   // get some of the tricky things that may still be in the globals
 
@@ -314,11 +326,24 @@ void SimSetup::createSim( void ){
 //     delete fileInit;
 //   }
 //   else{
+
+#ifdef IS_MPI 
+
+  // no init from bass
+  
+  sprintf( painCave.errMsg,
+	   "Cannot intialize a parallel simulation without an initial configuration file.\n" );
+  painCave.isFatal;
+  simError();
+  
+#else
 
   initFromBass();
+
+#endif // is_mpi
  
 #ifdef IS_MPI
-  strcpy( checkPointMsg, "initFromBass successfully created the lattice" );
+  strcpy( checkPointMsg, "Successfully read in the initial configuration" );
   MPIcheckPoint();
 #endif // is_mpi