Cool so if I execute this then it will work like this
vi cut.ptrj
trajin 50ns.mdcrd <
http://50ns.nc> 2 4
trajout 2-4ns.mdcrd <
http://10-12ns.nc> netcdf
execute like this ~/amber12/bin/cpptraj com_solvated.top cut.ptrj
I think this will execute, please confirm once? Please let me know whats
the function of netcdf?
On Mon, May 5, 2014 at 9:57 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> You can use the CPPTRAJ 'trajin' command with start/stop arguments
> followed by 'trajout'. For example, say you have written 1 frame every
> ps and you want to extract frames from 10-12 ns:
>
> trajin 50ns.nc 10000 12000
> trajout 10-12ns.nc netcdf
>
> Hope this helps,
>
> -Dan
>
> On Mon, May 5, 2014 at 8:19 AM, Soumendranath Bhakat
> <bhakatsoumendranath.gmail.com> wrote:
> > Hi All;
> >
> > It might be a bit stupid. But can anyone please suggest how to extract MD
> > cordinates from a long run.
> >
> > Suppose I ran 50ns MD simulation but I want to extract mdcrd for 2ns time
> > frame. How to extract mdcrd corresponding to 2ns timeframe from a 50ns MD
> > simulation?
> >
> > --
> > Thanks & Regards;
> > Soumendranath Bhakat
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Thanks & Regards;
Soumendranath Bhakat
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Received on Mon May 05 2014 - 11:00:07 PDT
