--- trunk/OOPSE/libmdtools/SimSetup.cpp	2003/08/12 17:51:33	682
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2003/08/13 19:21:53	693
@@ -5,6 +5,7 @@
 #include <string>
 
 #include "SimSetup.hpp"
+#include "ReadWrite.hpp"
 #include "parse_me.h"
 #include "Integrator.hpp"
 #include "simError.h"
@@ -96,7 +97,7 @@ void SimSetup::createSim(void){
   int i, j, k, globalAtomIndex;
   
   // gather all of the information from the Bass file
-  
+
   gatherInfo();
 
   // creation of complex system objects
@@ -104,7 +105,7 @@ void SimSetup::createSim(void){
   sysObjectsCreation();
 
   // check on the post processing info
-  
+
   finalInfoCheck();
 
   // initialize the system coordinates
@@ -888,8 +889,9 @@ void SimSetup::initSystemCoords( void ){
 void SimSetup::initSystemCoords( void ){
   int i;
   
-  std::cerr << "Setting atom Coords\n";
+  char* inName;
 
+
   (info[0].getConfiguration())->createArrays( info[0].n_atoms );
   
   for(i=0; i<info[0].n_atoms; i++) info[0].atoms[i]->setCoords();
@@ -900,7 +902,9 @@ void SimSetup::initSystemCoords( void ){
 #ifdef IS_MPI // is_mpi
     if( worldRank == 0 ){
 #endif //is_mpi
-      fileInit = new InitializeFromFile( globals->getInitialConfig() );
+      inName = globals->getInitialConfig();
+      double* tempDouble = new double[1000000];
+      fileInit = new InitializeFromFile( inName );
 #ifdef IS_MPI
     }else fileInit = new InitializeFromFile( NULL );
 #endif
@@ -1033,7 +1037,7 @@ void SimSetup::sysObjectsCreation( void ){
   int i,k;
   
   // create the forceField
-  
+
   createFF();
 
   // extract componentList
@@ -1051,11 +1055,11 @@ void SimSetup::sysObjectsCreation( void ){
 #endif //is_mpi
   
   // create the atom and SRI arrays. Also initialize Molecule Stamp ID's
-  
+ 
   makeSysArrays();
 
   // make and initialize the molecules (all but atomic coordinates)
-  
+ 
   makeMolecules();
   
   for(k=0; k<nInfo; k++){
@@ -1612,6 +1616,8 @@ void SimSetup::setupZConstraint(SimInfo& theInfo)
 
     //
     nZConstraints = globals->getNzConstraints();
+    theInfo.nZconstraints = nZConstraints;
+	
     zconStamp = globals->getZconStamp();
     ZConsParaItem tempParaItem;