Hi Justin,
Thank for the quick response. I would try out your script for the conversion.
Best,
Aiswarya
--Original Message--
From: Justin A. Lemkul
To: Aiswarya Pawar
To: Discussion list for GROMACS users
ReplyTo: jalem...@vt.edu
Subject: Re: [gmx-users] Conversion of gromacs trajectory file
Sent: 24 Aug 2011 5:35 PM
aiswarya.pa...@gmail.com wrote:
Hello Everyone,
Any idea how one can convert gromacs trajectory file to amber file. So as to
use the amber tools.
The key is finding a compatible intermediate that can be converted. I've found
that PDB format is pretty universal. I have a script that does the opposite
(mdcrd to .xtc) linked from my site:
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/scripts.html
It's a bit awkward, but does the job. Perhaps you can reverse-engineer it for
your purpose.
-Justin
--
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
Sent from my BlackBerry® on Reliance Mobile, India's No. 1 Network. Go for it!--
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