--- trunk/OOPSE/libmdtools/Integrator.cpp	2003/07/22 19:54:52	645
+++ trunk/OOPSE/libmdtools/Integrator.cpp	2003/08/22 20:04:39	711
@@ -183,18 +183,19 @@ template<typename T> void Integrator<T>::integrate( vo
 
   // initialize the forces before the first step
 
-  myFF->doForces(1,1);
-  
+  calcForce(1, 1);
+  // myFF->doForces(1,1);
+	
   if( info->setTemp ){
     
-    tStats->velocitize();
+    thermalize();
   }
   
   calcPot     = 0;
   calcStress  = 0;
-  currSample  = sampleTime;
-  currThermal = thermalTime;
-  currStatus  = statusTime;
+  currSample  = sampleTime + info->getTime();
+  currThermal = thermalTime+ info->getTime();
+  currStatus  = statusTime + info->getTime();
 
   dumpOut->writeDump( info->getTime() );
   statOut->writeStat( info->getTime() );
@@ -220,7 +221,7 @@ template<typename T> void Integrator<T>::integrate( vo
 
     if( info->setTemp ){
       if( info->getTime() >= currThermal ){
-	tStats->velocitize();
+	thermalize();
 	currThermal += thermalTime;
       }
     }
@@ -270,7 +271,7 @@ template<typename T> void Integrator<T>::integrateStep
 
   // calc forces
 
-  myFF->doForces(calcPot,calcStress);
+  calcForce(calcPot,calcStress);
 
 #ifdef IS_MPI
   strcpy( checkPointMsg, "Succesful doForces\n" );
@@ -772,3 +773,12 @@ template<typename T> void Integrator<T>::rotate( int a
     }
   }
 }
+
+template<typename T> void Integrator<T>::calcForce( int calcPot, int calcStress ){
+   myFF->doForces(calcPot,calcStress);
+  
+}
+
+template<typename T> void Integrator<T>::thermalize(){
+  tStats->velocitize();  
+}