--- trunk/OOPSE/libmdtools/Molecule.cpp	2003/04/07 16:56:38	468
+++ trunk/OOPSE/libmdtools/Molecule.cpp	2003/04/09 04:06:43	483
@@ -166,9 +166,9 @@ void Molecule::getCOMvel( double mtot, double COMvel[3
  
 }
 
-void Molecule::getCOMvel( double mtot, double COMvel[3] ) {
+double Molecule::getCOMvel( double COMvel[3] ) {
 
-  double mass;
+  double mass, mtot;
   int i;
 
   COMvel[0] = 0.0;
@@ -192,4 +192,17 @@ void Molecule::getCOMvel( double mtot, double COMvel[3
   COMvel[1] /= mtot;
   COMvel[2] /= mtot;
  
+  return mtot;
+
 }
+
+void Molecule::atomicRollCall(int* molMembership) {
+  int i, which;
+
+  for (i=0; i < nAtoms; i++) {
+    if (myAtoms[i] != NULL) {
+      which = myAtoms[i]->getIndex();
+      molMembership[which] = myIndex;
+    }
+  }
+}