[gmx-users] I want to stop my run

Mark Abraham mark.j.abraham at gmail.com
Wed Dec 12 12:00:28 CET 2012

You can just turn the power off :-) The checkpointing mechanism ensures you
already have all your output up to the time of the last checkpoint (default
every 15 minutes). You can use gmxcheck on these files during the
simulation to see what's in them.


On Wed, Dec 12, 2012 at 10:26 AM, Ali Alizadeh <
ali.alizadehmojarad at gmail.com> wrote:

> Dear All users
> How can i stop my mdrun before it reaches to final step?
> My mdrun will finish tomorrow but my system is turned off  today,
> How can i get completely output files( .gro , .xtc , .trr )?
> Can i analyze my simulation when my run is killed?
> --
> Sincerely
> Ali Alizadeh
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