[gmx-users] nstxout, nstvout, . . .

Mark Abraham mark.j.abraham at gmail.com
Sat Apr 6 10:43:59 CEST 2013


On Sat, Apr 6, 2013 at 8:25 AM, Chandan Choudhury <iitdckc at gmail.com> wrote:

> You need to re submit the jobs, with decreased time.
>

And next time check with the manual and consider your needs before making
arbitrary choices :-)

Mark


>
>
> --
> Chandan kumar Choudhury
> NCL, Pune
> INDIA
>
>
> On Sat, Apr 6, 2013 at 11:20 AM, dina dusti <dinadusti at yahoo.com> wrote:
>
> > Dear Specialists
> >
> >
> > I am a beginner at Gromacs. I work with MARTINI CG force field.
> >
> > I selected 50000 for
> >
> > nstxout        = 50000
> > nstvout        = 50000
> > nstenergy    = 50000
> > nstlog        = 50000
> > nstxtcout                = 50000
> >
> > and my jobs have been finished.
> >
> > I found that this time is very large. Is there a way for correct this
> > time? Or, should I do these jobs again?!
> > May I ask you to help me, Please?
> > Best Regards
> > Dina
> >
> > --
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