--- trunk/OOPSE/libmdtools/SimInfo.cpp	2003/03/21 17:42:12	378
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2003/03/31 22:09:39	439
@@ -19,6 +19,7 @@ SimInfo::SimInfo(){
   the_integrator = NULL;
   setTemp = 0;
   thermalTime = 0.0;
+  rCut = 0.0;
 
   usePBC = 0;
   useLJ = 0; 
@@ -37,6 +38,7 @@ void SimInfo::refreshSim(){
 
   simtype fInfo;
   int isError;
+  int* excl;
 
   fInfo.box[0] = box_x;
   fInfo.box[1] = box_y;
@@ -44,19 +46,22 @@ void SimInfo::refreshSim(){
 
   fInfo.rlist = rList;
   fInfo.rcut = rCut;
-  fInfo.rrf = rRF;
-  fInfo.rt = 0.95 * rRF;
+  fInfo.rrf = ecr;
+  fInfo.rt = ecr - est;
   fInfo.dielect = dielectric;
- 
 
   fInfo.SIM_uses_PBC = usePBC;
   fInfo.SIM_uses_LJ = useLJ;
-  fInfo.SIM_uses_sticky = useSticky;
+
+  //fInfo.SIM_uses_sticky = useSticky;
+  fInfo.SIM_uses_sticky = 0;
   fInfo.SIM_uses_dipoles = useDipole;
+  //fInfo.SIM_uses_dipoles = 0;
   fInfo.SIM_uses_RF = useReactionField;
   fInfo.SIM_uses_GB = useGB;
   fInfo.SIM_uses_EAM = useEAM;
 
+  excl = Exclude::getArray();
 
   isError = 0;
 
@@ -69,7 +74,8 @@ void SimInfo::refreshSim(){
   globalExcludes;
   isError;
 
-  setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excludes, &nGlobalExcludes, globalExcludes, &isError );
+  setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excl, 
+		  &nGlobalExcludes, globalExcludes, &isError );
 
   if( isError ){