--- trunk/OOPSE/libmdtools/SimSetup.cpp	2004/06/11 14:14:10	1261
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2004/08/23 15:11:36	1452
@@ -1820,11 +1820,11 @@ void SimSetup::makeIntegrator(void){
 void SimSetup::makeIntegrator(void){
   int k;
 
-  NVE<RealIntegrator>* myNVE = NULL;
-  NVT<RealIntegrator>* myNVT = NULL;
-  NPTi<NPT<RealIntegrator> >* myNPTi = NULL;
-  NPTf<NPT<RealIntegrator> >* myNPTf = NULL;
-  NPTxyz<NPT<RealIntegrator> >* myNPTxyz = NULL;
+  NVE<Integrator<BaseIntegrator> >* myNVE = NULL;
+  NVT<Integrator<BaseIntegrator> >* myNVT = NULL;
+  NPTi<NPT<Integrator<BaseIntegrator> > >* myNPTi = NULL;
+  NPTf<NPT<Integrator<BaseIntegrator> > >* myNPTf = NULL;
+  NPTxyz<NPT<Integrator<BaseIntegrator> > >* myNPTxyz = NULL;
   
   for (k = 0; k < nInfo; k++){
     switch (ensembleCase){
@@ -1834,7 +1834,15 @@ void SimSetup::makeIntegrator(void){
           myNVE = new ZConstraint<NVE<RealIntegrator> >(&(info[k]), the_ff);
         }
         else{
-          myNVE = new NVE<RealIntegrator>(&(info[k]), the_ff);
+          if (globals->haveQuaternion()){
+            if (globals->getUseQuaternion())
+              info->the_integrator = new NVE<SQSIntegrator<RealIntegrator> >(&(info[k]), the_ff);
+          }
+          else
+            info->the_integrator = new NVE<RealIntegrator>(&(info[k]), the_ff);
+          break;
+
+          //myNVE = new NVE<RealIntegrator>(&(info[k]), the_ff);
 	}
 	
 	info->the_integrator = myNVE;