Re: [AMBER] Combining .mdvel and .nc(NetCDF) into one file

From: Daniel Roe <>
Date: Sat, 14 May 2016 06:13:16 -0600


The 'mdvel' keyword for the 'trajin' command should do the trick.

trajin 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.


On Sat, May 14, 2016 at 1:12 AM, ATUL KUMAR <> 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

Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Sat May 14 2016 - 05:30:04 PDT
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