[gmx-users] Probably a bug in nstenergy?

Mark Abraham Mark.Abraham at anu.edu.au
Mon Apr 20 08:42:30 CEST 2009

Lee Soin wrote:
> Hello!
> I'm experiencing a strange thing. I've tried to set nstenergy in .mdp 
> file to various values(0, 1, 1000000) but there seems to be no change in 
> the output frequency in energy file and the file always attains several 
> gigabytes easily. Probably a bug?

Probably a mis-use, mis-spelling or a mis-observation :-) I'm not aware 
of any GROMACS version that had such a problem, and you'd have to be 
able to reproduce it in GROMACS 4.0.4 and at least post your .mdp file 
before it might be consistent with a bug.


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