--- trunk/OOPSE/libmdtools/NVT.cpp	2003/09/17 14:22:15	768
+++ trunk/OOPSE/libmdtools/NVT.cpp	2003/09/19 14:22:29	769
@@ -255,18 +255,24 @@ template<typename T> double NVT<T>::getConservedQuanti
 template<typename T> double NVT<T>::getConservedQuantity(void){
 
   double conservedQuantity;
-  double E_NVT;
-
-  //HNVE
-  conservedQuantity = tStats->getTotalE();
-  //HNVE
-  
-  E_NVT =  (info->getNDF() * kB * targetTemp * 
-                (integralOfChidt + tauThermostat * tauThermostat * chi * chi / 2.0 )) / eConvert;
+  double fkBT;
+  double Energy;
+  double thermostat_kinetic;
+  double thermostat_potential;
 
-  conservedQuantity += E_NVT;
+  fkBT = (double)(info->getNDF()    ) * kB * targetTemp; 
+ 
+  Energy = tStats->getTotalE();
 
-  //cerr << info->getTime() << "\t" << chi << "\t" << integralOfChidt << "\t" << E_NVT << endl;
+  thermostat_kinetic = fkBT* tauThermostat * tauThermostat * chi * chi / 
+    (2.0 * eConvert);
 
+  thermostat_potential = fkBT * integralOfChidt / eConvert;
+
+  conservedQuantity = Energy + thermostat_kinetic + thermostat_potential;
+  
+  cerr << info->getTime() << "\t" << Energy << "\t" << thermostat_kinetic << 
+      "\t" << thermostat_potential << "\t" << conservedQuantity << endl;
+
   return conservedQuantity; 
 }