[MMTK] Equations of motion

[Andreas Kring]

Hello.

I have a question concerning the equations of motion used by MMTK to 
perform molecular dynamics. According to the paper K. Hinsen, J. Comput. 
Chem., Vol. 21, No. 2, 79-85 (2000), MMTK uses the set of equations of 
motion derived by Kneller and Mülders (G. Kneller, T. Mülders, Phys. 
Rev. E, Vol. 54, No. 6 (1996)).

Having a look at this paper by Kneller and Mülders it is seen (if I 
understand it correctly) that more than one set of equations of motions 
are derived:

1)
A set of equation derived by Lagrangians, projector techniques and 
Dirac's theory of constrained Hamitonian dynamics.

2)
A set of equations derived as generalized Euler equations for linked 
rigid bodies.


My question is: which of these sets of equations are used by MMTK to 
perform MD?

Kind regards
Andreas