Hi, So, you want to make a selection according to a geometric criterion, which is what gmx select does.
Mark On Mon, Apr 3, 2017 at 10:12 AM ISHRAT JAHAN <jishra...@gmail.com> wrote: > i want to calculate number of water molecule within given distance from > protein. > > > On Mon, Apr 3, 2017 at 1:20 PM, Mark Abraham <mark.j.abra...@gmail.com> > wrote: > > > Hi, > > > > It's not clear to me what you actually want, or why trjorder is even a > > possible tool for the job. Look at > > http://manual.gromacs.org/documentation/2016/user-guide/cmdline.html and > > find something useful. > > > > Mark > > > > On Mon, Apr 3, 2017 at 9:46 AM ISHRAT JAHAN <jishra...@gmail.com> wrote: > > > > > ---------- Forwarded message ---------- > > > From: ISHRAT JAHAN <jishra...@gmail.com> > > > Date: Fri, Mar 31, 2017 at 12:51 PM > > > Subject: analysis of osmolyte at particular distance from backbone > > > To: gmx-us...@gromacs.org > > > > > > > > > Dear all, > > > > > > I want to calculate the number of osmolyte molecule at particular > > distance > > > from backbone with respect to residue.I have tried the command trjorder > > but > > > it gives the number of osmolytes w.r.t time and i want it w.r.t > residue. > > > Can anyone help me how to calculate this. > > > Thanks in advance > > > -- > > > 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. > > > > > -- > > 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. > > > -- > 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. > -- 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.