[gmx-users] a problem about the residence

[David van der Spoel]

zhuliang at tju.edu.cn wrote:
> Hi all,
>       I want to calculate the water number in the  hydration shell around the
> solute, but I am not clear about the way to do it with the tools in gmx.I hope
> someone will gieve a hand?Thank you in advance!
> 
g_rdf.

> 
> 
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se