--- branches/development/src/rnemd/RNEMD.cpp	2013/04/09 19:45:54	1861
+++ branches/development/src/rnemd/RNEMD.cpp	2013/04/30 15:56:54	1868
@@ -71,7 +71,8 @@ namespace OpenMD {
   RNEMD::RNEMD(SimInfo* info) : info_(info), evaluator_(info), seleMan_(info), 
                                 evaluatorA_(info), seleManA_(info), 
                                 commonA_(info), evaluatorB_(info), 
-                                seleManB_(info), commonB_(info),
+                                seleManB_(info), commonB_(info), 
+                                hasData_(false),
                                 usePeriodicBoundaryConditions_(info->getSimParams()->getUsePeriodicBoundaryConditions()) {
 
     trialCount_ = 0;
@@ -556,7 +557,7 @@ namespace OpenMD {
             slabWidth_ = hmat(2,2) / 10.0;
         
           if (hasSlabBCenter) 
-            slabBCenter_ = rnemdParams->getSlabACenter();
+            slabBCenter_ = rnemdParams->getSlabBCenter();
           else 
             slabBCenter_ = hmat(2,2) / 2.0;
         
@@ -577,18 +578,16 @@ namespace OpenMD {
         }
       }
     }
+
     // object evaluator:
     evaluator_.loadScriptString(rnemdObjectSelection_);
     seleMan_.setSelectionSet(evaluator_.evaluate());
-    
     evaluatorA_.loadScriptString(selectionA_);
     evaluatorB_.loadScriptString(selectionB_);
-    
     seleManA_.setSelectionSet(evaluatorA_.evaluate());
     seleManB_.setSelectionSet(evaluatorB_.evaluate());
-    
     commonA_ = seleManA_ & seleMan_;
-    commonB_ = seleManB_ & seleMan_;    
+    commonB_ = seleManB_ & seleMan_;  
   }
   
     
@@ -605,6 +604,10 @@ namespace OpenMD {
 #ifdef IS_MPI
     }
 #endif
+
+    // delete all of the objects we created:
+    delete areaAccumulator_;    
+    data_.clear();
   }
   
   void RNEMD::doSwap(SelectionManager& smanA, SelectionManager& smanB) {
@@ -1732,14 +1735,16 @@ namespace OpenMD {
       int isd;
       StuntDouble* sd;
       vector<StuntDouble*> aSites;
-      ConvexHull* surfaceMeshA = new ConvexHull();
       seleManA_.setSelectionSet(evaluatorA_.evaluate());
       for (sd = seleManA_.beginSelected(isd); sd != NULL; 
            sd = seleManA_.nextSelected(isd)) {
         aSites.push_back(sd);
       }
+      ConvexHull* surfaceMeshA = new ConvexHull();
       surfaceMeshA->computeHull(aSites);
       areaA = surfaceMeshA->getArea();
+      delete surfaceMeshA;
+
     } else {
       if (usePeriodicBoundaryConditions_) {
         // in periodic boundaries, the surface area is twice the x-y
@@ -1753,18 +1758,22 @@ namespace OpenMD {
       }
     }
 
+
+
     if (hasSelectionB_) {
       int isd;
       StuntDouble* sd;
       vector<StuntDouble*> bSites;
-      ConvexHull* surfaceMeshB = new ConvexHull();
       seleManB_.setSelectionSet(evaluatorB_.evaluate());
       for (sd = seleManB_.beginSelected(isd); sd != NULL; 
            sd = seleManB_.nextSelected(isd)) {
         bSites.push_back(sd);
       }
+      ConvexHull* surfaceMeshB = new ConvexHull();    
       surfaceMeshB->computeHull(bSites);
       areaB = surfaceMeshB->getArea();
+      delete surfaceMeshB;
+
     } else {
       if (usePeriodicBoundaryConditions_) {
         // in periodic boundaries, the surface area is twice the x-y
@@ -2004,6 +2013,7 @@ namespace OpenMD {
         }
       }
     }
+    hasData_ = true;
   }
 
   void RNEMD::getStarted() {
@@ -2036,6 +2046,7 @@ namespace OpenMD {
   
   void RNEMD::writeOutputFile() {
     if (!doRNEMD_) return;
+    if (!hasData_) return;
     
 #ifdef IS_MPI
     // If we're the root node, should we print out the results
@@ -2057,10 +2068,16 @@ namespace OpenMD {
       RealType time = currentSnap_->getTime();
       RealType avgArea;
       areaAccumulator_->getAverage(avgArea);
-      RealType Jz = kineticExchange_ / (time * avgArea) 
-        / PhysicalConstants::energyConvert;
-      Vector3d JzP = momentumExchange_ / (time * avgArea);      
-      Vector3d JzL = angularMomentumExchange_ / (time * avgArea);      
+
+      RealType Jz(0.0);
+      Vector3d JzP(V3Zero);
+      Vector3d JzL(V3Zero);
+      if (time >= info_->getSimParams()->getDt()) {
+        Jz = kineticExchange_ / (time * avgArea)
+          / PhysicalConstants::energyConvert;
+        JzP = momentumExchange_ / (time * avgArea);
+        JzL = angularMomentumExchange_ / (time * avgArea);
+      }
 
       rnemdFile_ << "#######################################################\n";
       rnemdFile_ << "# RNEMD {\n";