--- trunk/OOPSE/libmdtools/SimInfo.cpp	2004/05/07 21:35:05	1150
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2004/05/11 16:00:22	1154
@@ -42,11 +42,10 @@ SimInfo::SimInfo(){
   thermalTime = 0.0;
   currentTime = 0.0;
   rCut = 0.0;
-  ecr = 0.0;
-  est = 0.0;
+  rSw = 0.0;
 
   haveRcut = 0;
-  haveEcr = 0;
+  haveRsw = 0;
   boxIsInit = 0;
   
   resetTime = 1e99;
@@ -63,7 +62,6 @@ SimInfo::SimInfo(){
   useReactionField = 0;
   useGB = 0;
   useEAM = 0;
-  useMolecularCutoffs = 0;
 
   excludes = Exclude::Instance();
 
@@ -480,26 +478,15 @@ void SimInfo::setDefaultRcut( double theRcut ){
   
   haveRcut = 1;
   rCut = theRcut;
+  rList = rCut + 1.0; 
   
-  ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
-  
-  notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
+  notifyFortranCutOffs( &rCut, &rSw, &rList );
 }
 
-void SimInfo::setDefaultEcr( double theEcr ){
+void SimInfo::setDefaultRcut( double theRcut, double theRsw ){
 
-  haveEcr = 1;
-  ecr = theEcr;
-  
-  ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
-
-  notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
-}
-
-void SimInfo::setDefaultEcr( double theEcr, double theEst ){
-
-  est = theEst;
-  setDefaultEcr( theEcr );
+  rSw = theRsw;
+  setDefaultRcut( theRcut );
 }
 
 
@@ -511,8 +498,8 @@ void SimInfo::checkCutOffs( void ){
     
     if( rCut > maxCutoff ){
       sprintf( painCave.errMsg,
-	       "LJrcut is too large for the current periodic box.\n"
-               "\tCurrent Value of LJrcut = %G at time %G\n "
+	       "cutoffRadius is too large for the current periodic box.\n"
+               "\tCurrent Value of cutoffRadius = %G at time %G\n "
                "\tThis is larger than half of at least one of the\n"
                "\tperiodic box vectors.  Right now, the Box matrix is:\n"
 	       "\n"
@@ -525,28 +512,7 @@ void SimInfo::checkCutOffs( void ){
 	       Hmat[2][0], Hmat[2][1], Hmat[2][2]);
       painCave.isFatal = 1;
       simError();
-    }
-    
-    if( haveEcr ){
-      if( ecr > maxCutoff ){
-	sprintf( painCave.errMsg,
-                 "electrostaticCutoffRadius is too large for the current\n"
-                 "\tperiodic box.\n\n"
-                 "\tCurrent Value of ECR = %G at time %G\n "
-                 "\tThis is larger than half of at least one of the\n"
-                 "\tperiodic box vectors.  Right now, the Box matrix is:\n"
-                 "\n"
-                 "\t[ %G %G %G ]\n"
-                 "\t[ %G %G %G ]\n"
-                 "\t[ %G %G %G ]\n",
-		 ecr, currentTime,
-		 Hmat[0][0], Hmat[0][1], Hmat[0][2],
-		 Hmat[1][0], Hmat[1][1], Hmat[1][2],
-		 Hmat[2][0], Hmat[2][1], Hmat[2][2]);
-	painCave.isFatal = 1;
-	simError();
-      }
-    }
+    }    
   } else {
     // initialize this stuff before using it, OK?
     sprintf( painCave.errMsg,