[gmx-users] Fw: the crashed run

Mahboobeh Eslami mahboobeh.eslami at yahoo.com
Sun Dec 8 14:49:47 CET 2013


thanks for your reply
please suggest the best command for restart a crashed run.
i use following command 
mdrun -v -deffnm md -cpi md
is this command good or not?
thanks




On Sunday, December 8, 2013 2:18 PM, "jkrieger at mrc-lmb.cam.ac.uk" <jkrieger at mrc-lmb.cam.ac.uk> wrote:
 
_prev.cpt might be ok. I think it writes those in case the current cpt causes problems


On 8 Dec 2013, at 09:57, Mahboobeh Eslami <mahboobeh.eslami at yahoo.com> wrote:

> hi GMX users
> i use
 gromacs 4.6.3 double precision for protein ligand complex during the 20 ns. my run crashed, I'm not
 sure that restart my run from cpt file or run a new production.
> is the result of  started again run a reliable like a non crashed run.
> 
> thanks for your help
> -- 
> Gromacs Users mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> 
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.


More information about the gromacs.org_gmx-users mailing list