[gmx-users] protein hydration shell water

Justin A. Lemkul jalemkul at vt.edu
Mon Nov 28 21:12:04 CET 2011

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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