[gmx-users] Fw: the crashed run
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?
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
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