Thanks Dan
*Atul Kuamr jaiswal*
Research Scholar
School of Computational and Integrative Sciences
Centre for Computational Biology and Bioinformatics (CCBB)
JNU,New Delhi
India.
On Sat, May 14, 2016 at 5:43 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> The 'mdvel' keyword for the 'trajin' command should do the trick.
>
> trajin coords.nc mdvel velocity.mdvel
> trajout combined
>
> I've just noticed this seems to have been left out of the
> documentation, so thanks for bringing this up. Let me know if it
> doesn't work for you.
>
> -Dan
>
>
> On Sat, May 14, 2016 at 1:12 AM, ATUL KUMAR <atul44_sit.jnu.ac.in> wrote:
> > Dear amber users, I want to calculate velocity auto-correlation by
> > cpptraj(velocityautocorr) for that I need trajectory file with velocity
> > information init. I have saparate velocity file(.mdvel) and trajectory
> > coordinate file(.nc). Is there any way to combine both the files into one
> > so that it can be used to calculate velocity auto-correlation.
> > Any pointer will be highly appriciated
> >
> > Thank you
> > *Atul Kuamr jaiswal*
> > Research Scholar
> > School of Computational and Integrative Sciences
> > Centre for Computational Biology and Bioinformatics (CCBB)
> > JNU,New Delhi
> > India.
> > _______________________________________________
> > 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 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
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>
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Received on Sat May 14 2016 - 06:30:05 PDT
