[gmx-users] Rotation of CoM: paralel version

Mehmet Suezen suzen at theochem.tu-muenchen.de
Tue Apr 16 22:20:12 CEST 2002

David van der Spoel wrote:
> On Tue, 16 Apr 2002, Mehmet Suezen wrote:
> >Dear Gromacs users,
> >
> >Is it true that in gromacs-3.1.3 Rotation of CoM could be in parallel
> >version as well?
> >unlike 3.0.5.
> In principle yes, but test it carefully please. It even works on multiple
> groups, but I don't know why you would want that, although I implemented
> it myself..
> --
> Groeten, David.

I like to eliminate total angular momentum of the system during
'thermostat' runs.
How could I test it? Or be sure that it is so. I guess just comparing
and output angular momentum of CoM? 


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