--- trunk/OOPSE/libmdtools/SimInfo.cpp	2003/04/05 03:39:25	463
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2003/04/09 04:06:43	483
@@ -129,6 +129,10 @@ void SimInfo::refreshSim(){
   simtype fInfo;
   int isError;
   int* excl;
+  
+  fInfo.rrf = 0.0;
+  fInfo.rt = 0.0;
+  fInfo.dielect = 0.0;
 
   fInfo.box[0] = box_x;
   fInfo.box[1] = box_y;
@@ -136,10 +140,13 @@ void SimInfo::refreshSim(){
 
   fInfo.rlist = rList;
   fInfo.rcut = rCut;
-  fInfo.rrf = ecr;
-  fInfo.rt = ecr - est;
-  fInfo.dielect = dielectric;
 
+  if( useDipole ){
+    fInfo.rrf = ecr;
+    fInfo.rt = ecr - est;
+    if( useReactionField )fInfo.dielect = dielectric;
+  }
+
   fInfo.SIM_uses_PBC = usePBC;
   //fInfo.SIM_uses_LJ = 0;
   fInfo.SIM_uses_LJ = useLJ;
@@ -156,17 +163,9 @@ void SimInfo::refreshSim(){
 
   isError = 0;
 
-//   fInfo;
-//   n_atoms; 
-//   identArray;
-//   n_exclude;
-//   excludes;
-//   nGlobalExcludes;
-//   globalExcludes;
-//   isError;
-
   setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excl, 
-		  &nGlobalExcludes, globalExcludes, &isError );
+		  &nGlobalExcludes, globalExcludes, molMembershipArray, 
+                  &isError );
 
   if( isError ){
 
@@ -182,8 +181,8 @@ void SimInfo::refreshSim(){
   MPIcheckPoint();
 #endif // is_mpi
 
-  ndf = this->getNDF();
-  ndfRaw = this->getNDFraw();
+  this->ndf = this->getNDF();
+  this->ndfRaw = this->getNDFraw();
 
 }