--- trunk/OOPSE/libmdtools/SimSetup.cpp	2004/05/11 20:33:41	1157
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2004/05/12 14:30:12	1163
@@ -484,7 +484,7 @@ void SimSetup::makeMolecules(void){
       }
       
 
-      //creat cutoff group for molecule
+      //create cutoff group for molecule
       molInfo.myCutoffGroups.clear();
       for (j = 0; j < molInfo.nCutoffGroups; j++){
 
@@ -563,19 +563,7 @@ void SimSetup::makeMolecules(void){
   sprintf(checkPointMsg, "all molecules initialized succesfully");
   MPIcheckPoint();
 #endif // is_mpi
-
-  // clean up the forcefield
-
-  if (!globals->haveRcut()){
 
-    the_ff->calcRcut();
-
-  } else {
-    
-    the_ff->setRcut( globals->getRcut() );
-  }
-
-  the_ff->cleanMe();
 }
 
 void SimSetup::initFromBass(void){
@@ -1016,10 +1004,33 @@ void SimSetup::finalInfoCheck(void){
 #endif //is_mpi
 
     double theRcut, theRsw;
+
+    if (globals->haveRcut()) {
+      theRcut = globals->getRcut();
+
+      if (globals->haveRsw()) 
+        theRsw = globals->getRsw();
+      else 
+        theRsw = theRcut;
+      
+      info[i].setDefaultRcut(theRcut, theRsw);
+
+    } else {
+      
+      the_ff->calcRcut();
+      theRcut = info[i].getRcut();
+
+      if (globals->haveRsw()) 
+        theRsw = globals->getRsw();
+      else 
+        theRsw = theRcut;
+      
+      info[i].setDefaultRcut(theRcut, theRsw);
+    }
 
     if (globals->getUseRF()){
       info[i].useReactionField = 1;
-
+      
       if (!globals->haveRcut()){
         sprintf(painCave.errMsg,
                 "SimSetup Warning: No value was set for the cutoffRadius.\n"
@@ -1096,6 +1107,9 @@ void SimSetup::finalInfoCheck(void){
   strcpy(checkPointMsg, "post processing checks out");
   MPIcheckPoint();
 #endif // is_mpi
+
+  // clean up the forcefield
+  the_ff->cleanMe();
 }
   
 void SimSetup::initSystemCoords(void){