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.
Mark On Wed, Dec 12, 2012 at 10:26 AM, Ali Alizadeh < ali.alizadehmoja...@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 > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
