[gmx-users] maximum size for Freeze group?
Mark.Abraham at anu.edu.au
Tue May 26 02:42:50 CEST 2009
ilona.baldus at bioquant.uni-heidelberg.de wrote:
> I built an Argon box around my system that shall work as walls.
> Therefore all Argon atoms should be frozen. There are 33900 Argon atoms
> in my system but during grompp-ing the following message occurs:
> Making dummy/rest group for T-Coupling containing 62956 elements
> Making dummy/rest group for Acceleration containing 62956 elements
> Making dummy/rest group for Freeze containing 29056 elements
> WARNING 1 [file topol.top, line 33950]:
> WARNING 2 [file topol.top, line 33950]:
> (Yes the warning is empty).
I can't help you on point, but the above behaviour is a bug similar to
one I reported recently. Please submit a bugzilla from the GROMACS
website, describing your GROMACS version and attach your .mdp and .tpr
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