--- trunk/OOPSE-1.0/libmdtools/SimSetup.cpp	2004/07/27 18:14:16	1419
+++ trunk/OOPSE-1.0/libmdtools/SimSetup.cpp	2004/08/09 14:50:35	1451
@@ -96,6 +96,9 @@ SimSetup::~SimSetup(){
 }
 
 SimSetup::~SimSetup(){
+  // clean up the forcefield
+  the_ff->cleanMe();
+
   delete stamps;
   delete globals;
 }
@@ -114,6 +117,8 @@ void SimSetup::parseFile(char* fileName){
 #endif // is_mpi
 
     inFileName = fileName;
+
+    globals->initalize();
     set_interface_stamps(stamps, globals);
 
 #ifdef IS_MPI
@@ -827,7 +832,6 @@ void SimSetup::gatherInfo(void){
       }        
     }
 
-    
     for (i=0; i < nInfo; i++) {
       
       // check for the temperature set flag
@@ -847,7 +851,7 @@ void SimSetup::gatherInfo(void){
           info[i].thermIntLambda = globals->getThermIntLambda();
           info[i].thermIntK = globals->getThermIntK();
           
-          Restraints *myRestraint = new Restraints(tot_nmol, info[i].thermIntLambda, info[i].thermIntK);
+          Restraints *myRestraint = new Restraints(info[i].thermIntLambda, info[i].thermIntK);
           info[i].restraint = myRestraint;
         }
         else {
@@ -1126,8 +1130,6 @@ void SimSetup::finalInfoCheck(void){
   MPIcheckPoint();
 #endif // is_mpi
 
-  // clean up the forcefield
-  the_ff->cleanMe();
 }
   
 void SimSetup::initSystemCoords(void){