[gmx-users] call for help about the hydration number

[Erik Marklund]

zhuliang at tju.edu.cn skrev:
> Hi all
>       How can I count the number of water molecules within spheres of desired
> radii around a solute when I analyse the trajectory.Thank you in advance!
>
>
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g_hbond -contact

-- 
-----------------------------------------------
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://xray.bmc.uu.se/molbiophys