--- trunk/OOPSE/libmdtools/Molecule.hpp 2003/04/03 22:19:21 452 +++ trunk/OOPSE/libmdtools/Molecule.hpp 2003/04/07 16:56:38 468 @@ -60,6 +60,7 @@ class Molecule{ (public) void getCOM( double COM[3] ); void moveCOM( double delta[3] ); + void getCOMvel( double mtot, double COMvel[3] ); private: