--- trunk/OOPSE/libmdtools/Integrator.cpp	2003/09/19 20:00:27	778
+++ trunk/OOPSE/libmdtools/Integrator.cpp	2003/09/24 19:34:39	784
@@ -25,8 +25,7 @@ template<typename T> Integrator<T>::Integrator(SimInfo
   if (info->the_integrator != NULL){
     delete info->the_integrator;
   }
-  info->the_integrator = this;
-
+  
   nAtoms = info->n_atoms;
 
   // check for constraints
@@ -174,9 +173,18 @@ template<typename T> void Integrator<T>::integrate(voi
   dt = info->dt;
   dt2 = 0.5 * dt;
 
+  readyCheck();
+
   // initialize the forces before the first step
 
   calcForce(1, 1);
+
+  if (nConstrained){
+    preMove();
+    constrainA();
+    calcForce(1, 1);    
+    constrainB();
+  }
   
   if (info->setTemp){
     thermalize();
@@ -192,7 +200,7 @@ template<typename T> void Integrator<T>::integrate(voi
   dumpOut->writeDump(info->getTime());
   statOut->writeStat(info->getTime());
 
-  readyCheck();
+
 
 #ifdef IS_MPI
   strcpy(checkPointMsg, "The integrator is ready to go.");