--- trunk/OOPSE/libmdtools/SimSetup.cpp	2004/04/22 03:29:30	1129
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2004/05/11 16:00:22	1154
@@ -538,13 +538,13 @@ void SimSetup::makeMolecules(void){
 
   // clean up the forcefield
 
-  if (!globals->haveLJrcut()){
+  if (!globals->haveRcut()){
 
     the_ff->calcRcut();
 
   } else {
     
-    the_ff->setRcut( globals->getLJrcut() );
+    the_ff->setRcut( globals->getRcut() );
   }
 
   the_ff->cleanMe();
@@ -987,39 +987,38 @@ void SimSetup::finalInfoCheck(void){
     MPI_Allreduce(&myUse, &usesDipoles, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);
 #endif //is_mpi
 
-    double theEcr, theEst;
+    double theRcut, theRsw;
 
     if (globals->getUseRF()){
       info[i].useReactionField = 1;
 
-      if (!globals->haveECR()){
+      if (!globals->haveRcut()){
         sprintf(painCave.errMsg,
-                "SimSetup Warning: No value was set for electrostaticCutoffRadius.\n"
+                "SimSetup Warning: No value was set for the cutoffRadius.\n"
                 "\tOOPSE will use a default value of 15.0 angstroms"
-                "\tfor the electrostaticCutoffRadius.\n");
+                "\tfor the cutoffRadius.\n");
         painCave.isFatal = 0;
         simError();
-        theEcr = 15.0;
+        theRcut = 15.0;
       }
       else{
-        theEcr = globals->getECR();
+        theRcut = globals->getRcut();
       }
 
-      if (!globals->haveEST()){
+      if (!globals->haveRsw()){
         sprintf(painCave.errMsg,
-                "SimSetup Warning: No value was set for electrostaticSkinThickness.\n"
+                "SimSetup Warning: No value was set for switchingRadius.\n"
                 "\tOOPSE will use a default value of\n"
-                "\t0.05 * electrostaticCutoffRadius\n"
-                "\tfor the electrostaticSkinThickness\n");
+                "\t0.95 * cutoffRadius for the switchingRadius\n");
         painCave.isFatal = 0;
         simError();
-        theEst = 0.05 * theEcr;
+        theRsw = 0.95 * theRcut;
       }
       else{
-        theEst = globals->getEST();
+        theRsw = globals->getRsw();
       }
 
-      info[i].setDefaultEcr(theEcr, theEst);
+      info[i].setDefaultRcut(theRcut, theRsw);
 
       if (!globals->haveDielectric()){
         sprintf(painCave.errMsg,
@@ -1033,34 +1032,35 @@ void SimSetup::finalInfoCheck(void){
     }
     else{
       if (usesDipoles || usesCharges){
-        if (!globals->haveECR()){
+
+        if (!globals->haveRcut()){
           sprintf(painCave.errMsg,
-                  "SimSetup Warning: No value was set for electrostaticCutoffRadius.\n"
+                  "SimSetup Warning: No value was set for the cutoffRadius.\n"
                   "\tOOPSE will use a default value of 15.0 angstroms"
-                  "\tfor the electrostaticCutoffRadius.\n");
-	  painCave.isFatal = 0;
-	  simError();
-	  theEcr = 15.0;
-        }
+                  "\tfor the cutoffRadius.\n");
+          painCave.isFatal = 0;
+          simError();
+          theRcut = 15.0;
+      }
         else{
-          theEcr = globals->getECR();
+          theRcut = globals->getRcut();
         }
-	
-        if (!globals->haveEST()){
+        
+        if (!globals->haveRsw()){
           sprintf(painCave.errMsg,
-                  "SimSetup Warning: No value was set for electrostaticSkinThickness.\n"
+                  "SimSetup Warning: No value was set for switchingRadius.\n"
                   "\tOOPSE will use a default value of\n"
-                  "\t0.05 * electrostaticCutoffRadius\n"
-                  "\tfor the electrostaticSkinThickness\n");
+                  "\t0.95 * cutoffRadius for the switchingRadius\n");
           painCave.isFatal = 0;
           simError();
-          theEst = 0.05 * theEcr;
+          theRsw = 0.95 * theRcut;
         }
         else{
-          theEst = globals->getEST();
+          theRsw = globals->getRsw();
         }
+        
+        info[i].setDefaultRcut(theRcut, theRsw);
 	
-        info[i].setDefaultEcr(theEcr, theEst);
       }
     }
   }