[gmx-users] Subject: Re: how to avoid multiple 'aprun' on batch job script?

[Satyabrata Das]

Dear Dr. Chris Neale,
Thank you for this reply, actually I am able to run job using multiple
aprun.
One thing is clear that in order to divide whole run into smaller bin (in
term
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,

Satyabrata Das