>Hi List,
>
>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.
>
>Regards,
>Neha Gandhi,
>School of Biomedical Sciences,
>Curtin University of Technology,
>GPO Box U1987 Perth,
>Western Australia 6845
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Received on Fri May 29 2009 - 01:16:48 PDT
