[gmx-users] no of interacting water molecules with solvated protein atoms

[Erik Marklund]

Mark Abraham skrev:
> Anupam Nath Jha wrote:
>> Dear friends
>>
>> can I calculate the interacting number of water molcules with each 
>> proteins
>> residue in solvated proteins for a given distance cut-off in gromacs?
>
> g_dist with some well-chosen groups should work.
>
> Mark
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-- 
-----------------------------------------------
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