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

Mark Abraham mark.j.abraham at gmail.com
Sat Apr 6 10:57:16 CEST 2013


Only you can judge that, because only you know what you are trying to
observe.

Mark

On Sat, Apr 6, 2013 at 10:54 AM, dina dusti <dinadusti at yahoo.com> wrote:

>
>
>
>
> ________________________________
>
> Dear Mark and Chandan kumar Choudhury
> Thank you very much from your answers. May I know what is the best of
> frequency to write the output (In MARTINI), Please?
> Best Regards
> Dina
>
>
>
>
> 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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