[gmx-users] Re: empty .edr files
magiofer at gmail.com
Fri Sep 23 10:01:52 CEST 2005
this has happened to me too, everything seemed to be ok, but the .edr
file was empty. After many runs which I interrupted because of the
leck of the energies, I decided to let it go thruogh till the end of
the simulation: the .edr file was written, don't ask me why, because I
run every simulation with the same .mdp file and this perfectly worked
for any other system but that one! So try and let the simulation reach
the end, you may be as lucky as I was.
On 9/23/05, 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
> 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?
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