[gmx-users] maximum size for Freeze group?

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 26 02:42:50 CEST 2009


ilona.baldus at bioquant.uni-heidelberg.de wrote:
> 
> Hi,
> 
> 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 
files.

Mark



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