[gmx-users] protein hydration shell water

[Justin A. Lemkul]

Yao Yao wrote:
> Hi Gmxers,
> 
> Anyone knows any command or flag that can extract the water within some 
> distance from the surface of a protein?
> 

You can make an index file using g_select, or print a list with g_dist -dist.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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