[gmx-users] Probably a bug in nstenergy?

[David van der Spoel]

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?
Did you rerun grompp?

What platform are you on?

> 
> -- 
> SUN Li
> Department of Physics
> Nanjing University, China
> 
> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se