--- trunk/OOPSE/libmdtools/SimInfo.cpp	2003/07/15 19:56:08	617
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2003/07/15 21:34:56	618
@@ -34,6 +34,7 @@ SimInfo::SimInfo(){
   setTemp = 0;
   thermalTime = 0.0;
   rCut = 0.0;
+  ecr = 0.0;
 
   usePBC = 0;
   useLJ = 0; 
@@ -122,22 +123,21 @@ void SimInfo::setBoxM( double theBox[3][3] ){
     refreshSim();
   }
 
-  if (rCut > maxCutoff) {
+  if( ecr > maxCutoff ){
+
     sprintf( painCave.errMsg,
-             "New Box size is forcing cutoff radius down to %lf\n",
+             "New Box size is forcing electrostatic cutoff radius "
+	     "down to %lf\n",
              maxCutoff );
     painCave.isFatal = 0;
     simError();
 
-    status = 0;
-    LJ_new_rcut(&rCut, &status);
-    if (status != 0) {
-      sprintf( painCave.errMsg,
-               "Error in recomputing LJ shifts based on new rcut\n");
-      painCave.isFatal = 1;
-      simError();
-    }
+    ecr = maxCutoff;
+    est = 0.05 * ecr;
+
+    refreshSim();
   }
+    
 }