--- trunk/OOPSE/libmdtools/Molecule.cpp	2003/04/03 21:12:51	450
+++ trunk/OOPSE/libmdtools/Molecule.cpp	2003/07/15 14:28:54	607
@@ -165,3 +165,36 @@ void Molecule::getCOM( double COM[3] ) {
   COM[2] /= mtot;
  
 }
+
+double Molecule::getCOMvel( double COMvel[3] ) {
+
+  double mass, mtot;
+  double aVel[3];
+  int i, j;
+
+
+  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;
+
+      myAtoms[i]->getVel(aVel);
+
+      for (j=0; j<3; j++) 
+        COMvel[j] += aVel[j]*mass;
+
+    }
+  }
+
+  for (j=0; j<3; j++) 
+    COMvel[j] /= mtot;
+ 
+  return mtot;
+
+}