--- trunk/OOPSE/libmdtools/Molecule.cpp	2003/04/07 16:56:38	468
+++ trunk/OOPSE/libmdtools/Molecule.cpp	2003/07/15 14:28:54	607
@@ -166,30 +166,35 @@ void Molecule::getCOM( double COM[3] ) {
  
 }
 
-void Molecule::getCOMvel( double mtot, double COMvel[3] ) {
+double Molecule::getCOMvel( double COMvel[3] ) {
 
-  double mass;
-  int i;
+  double mass, mtot;
+  double aVel[3];
+  int i, j;
 
-  COMvel[0] = 0.0;
-  COMvel[1] = 0.0;
-  COMvel[2] = 0.0;
+
+  for (j=0; j<3; j++) 
+    COMvel[j] = 0.0;
+
   mtot   = 0.0;
 
   for (i=0; i < nAtoms; i++) {
     if (myAtoms[i] != NULL) {
-      
+
       mass = myAtoms[i]->getMass();
       mtot   += mass;
-      COMvel[0] += myAtoms[i]->get_vx() * mass;
-      COMvel[1] += myAtoms[i]->get_vy() * mass;
-      COMvel[2] += myAtoms[i]->get_vz() * mass;
 
+      myAtoms[i]->getVel(aVel);
+
+      for (j=0; j<3; j++) 
+        COMvel[j] += aVel[j]*mass;
+
     }
   }
 
-  COMvel[0] /= mtot;
-  COMvel[1] /= mtot;
-  COMvel[2] /= mtot;
+  for (j=0; j<3; j++) 
+    COMvel[j] /= mtot;
  
+  return mtot;
+
 }