[gmx-users] Subject: Re: how to avoid multiple 'aprun' on batch job script?
satyabratad04 at gmail.com
Mon May 11 07:07:34 CEST 2015
Dear Dr. Chris Neale,
Thank you for this reply, actually I am able to run job using multiple
One thing is clear that in order to divide whole run into smaller bin (in
of ns) one need to invoke 'aprun' for every 'mdrun'. Correct me, in case
it is not true. I am trying to follow your other suggestions.
With best regards,
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