AMBER Archive (2009)
Subject: Re: [AMBER] J coupling constant calculation
From: Dechang Li (li.dc06_at_gmail.com)
Date: Fri May 29 2009 - 00:31:06 CDT
>I was wondering if there is a program/script to calculate theorectical
>Jcoupling from the AMBER or GROMACS simulations? How can we determine the
In GROMACS, the programe g_chi may be useful.
>conformational equlibrium (%) from the MD simulations?
>Help is appreciated.
>School of Biomedical Sciences,
>Curtin University of Technology,
>GPO Box U1987 Perth,
>Western Australia 6845
>AMBER mailing list
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