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.di...@nitk.edu.in> wrote: > 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, > > Dilip.H.N > PhD Student. > <https://mailtrack.io/> Sent with Mailtrack > <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign= > signaturevirality&> > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Marc Hoemberger Ph.D. Candidate, Biochemistry and Biophysics, Laboratory of Dorothee Kern MS-009, 415 South St. Brandeis University Waltham, MA, 02453 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.