[gmx-users] Regarding getting the coordinates within certain region of amino-acid
hoemberg at brandeis.edu
Wed Apr 11 14:53:40 CEST 2018
You can use either gmx trjorder with the nshell parameter (if it is as
simple as within Xnm of Y, use nshell parameter, see manual) or gmx select
(if you need some more complex selection).
On Wed, Apr 11, 2018 at 3:54 AM, Dilip.H.N <cy16f01.dilip at nitk.edu.in>
> Hello all,
> I want to get the water molecules which are at a certain distance (say all
> the water molecules which are within 0.35nm of the Nitrogen atom of glycine
> molecule). How can i get this all the coordinates.?
> Any specific commands..??
> Thank you.
> With Best Regards,
> PhD Student.
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Ph.D. Candidate, Biochemistry and Biophysics,
Laboratory of Dorothee Kern
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