[gmx-users] Probably a bug in nstenergy?
Mark.Abraham at anu.edu.au
Mon Apr 20 08:42:30 CEST 2009
Lee Soin wrote:
> 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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