Re: [AMBER] J coupling constant calculation

From: Dechang Li <li.dc06.gmail.com>
Date: Fri, 29 May 2009 06:31:06 +0100



>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
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber

= = = = = = = = = = = = = = = = = = = =
                        




_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 29 2009 - 01:16:48 PDT
Custom Search