--- trunk/OOPSE/libmdtools/Molecule.cpp	2003/04/03 21:12:51	450
+++ trunk/OOPSE/libmdtools/Molecule.cpp	2003/04/07 16:56:38	468
@@ -165,3 +165,31 @@ void Molecule::getCOM( double COM[3] ) {
   COM[2] /= mtot;
  
 }
+
+void Molecule::getCOMvel( double mtot, double COMvel[3] ) {
+
+  double mass;
+  int i;
+
+  COMvel[0] = 0.0;
+  COMvel[1] = 0.0;
+  COMvel[2] = 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;
+
+    }
+  }
+
+  COMvel[0] /= mtot;
+  COMvel[1] /= mtot;
+  COMvel[2] /= mtot;
+ 
+}