[gmx-users] reg. water mol. and its residence time

[Erik Marklund]

  babu gokul skrev 2010-10-06 12.27:
> Dear friends
> I would like to get the water molecule residue no which is near a 
> protein molecule active site and its residence time could anyone 
> please help me in this regard
> Thanking you
> E R Azhagiya singam
>
>
Try g_dist and/or g_hbond.

-- 
-----------------------------------------------
Erik Marklund, PhD student
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://folding.bmc.uu.se/

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