--- trunk/OOPSE/libmdtools/NPTi.cpp	2003/09/16 20:02:11	767
+++ trunk/OOPSE/libmdtools/NPTi.cpp	2003/09/17 14:22:15	768
@@ -173,9 +173,11 @@ template<typename T> void NPTi<T>::moveA() {
         pos[j] = oldPos[i*3 + j] + dt*(vel[j] + eta*rj[j]);
 
       atoms[i]->setPos( pos );
-
     }
-
+    
+    if (nConstrained){
+      constrainA();
+    }
   }
     
 
@@ -287,8 +289,13 @@ template<typename T> void NPTi<T>::moveB( void ){
           dAtom->setJ( ji );
       }
     }
-
-    if (fabs(prevChi - chi) <= chiTolerance && fabs(preEta -eta) <= etaTolerance) 
+    
+    if (nConstrained){
+      constrainB();
+    }    
+    
+    if (fabs(prevChi - chi) <= 
+	chiTolerance && fabs(preEta -eta) <= etaTolerance) 
       break;
   }
 
@@ -407,14 +414,14 @@ template<typename T> double NPTi<T>::getConservedQuant
   cout.precision(8);
 
   
-  cout << info->getTime() << "\t" 
-       << chi << "\t"
-       << eta << "\t"
-       << U << "\t" 
-       << TS << "\t"
-       << PV << "\t"
-       << extra << "\t"
-       << U+TS+PV+extra << endl;
+//   cout << info->getTime() << "\t" 
+//        << chi << "\t"
+//        << eta << "\t"
+//        << U << "\t" 
+//        << TS << "\t"
+//        << PV << "\t"
+//        << extra << "\t"
+//        << U+TS+PV+extra << endl;
 
   conservedQuantity = U+TS+PV+extra;
   return conservedQuantity;