[gmx-users] empty .edr files

leafyoung81-group at yahoo.com leafyoung81-group at yahoo.com
Fri Sep 23 03:26:20 CEST 2005


--- Rama Gullapalli <quantrum75 at yahoo.com> wrote:

> Hi all
> I have been running multiple jobs on our cluster.
> When
> i run more than 2 jobs, say 3 or 4, the output file
> for energy, .edr file is empty though the simulation
> is running. All the other files seem to be ok,
> including the .log,.trr files
check what you have set for nstenergy.

energy file will be normally generated a few cycles
later than xtc, trr.
> Can anyone tell me why this is happening?
> Also, if i have only the .trr file, is it possible
> to
> extract the energies etc from it?
> Sincerely
> Regards
> Rama
> 
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