[gmx-users] COM motion removal problem
christoph.freudenberger at chemie.uni-ulm.de
Wed Oct 16 07:56:25 CEST 2002
Erik Lindahl wrote:
> Any special reason why you don't remove it every step? I would at least
> try that and seem if that's the problem.
I'm also not quite sure how to handle this. The manual is not really
unmistakable about this:
| nstcomm: (1) [steps]
| frequency for center of mass motion removal>/dd> motion removal
| (should only be used for vacuum simulations)
How is that meant?
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
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