Re: [AMBER] Convert mdcrd files into pbd files

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Sun, 27 Nov 2016 14:01:15 -0500

As Hai suggested, cpptraj can do this for you. For example, something
like this could work for you:

parm myparm.parm7
trajin mytraj.mdcrd
trajout mypdb.pdb multi

See the Amber16 manual for full details on commands/keywords.

-Dan

On Fri, Nov 25, 2016 at 5:47 PM, The Cromicus Productions
<thecromicusproductions.gmail.com> wrote:
> Hi everyone,
>
> is there an easy way, without using vmd, to convert mdcrd files (with their
> prmtop file) into pdb files? I'm trying to automate a procedure in bash and
> that would be very helpful.
> Thanks a lot!
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Sun Nov 27 2016 - 11:30:03 PST
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