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.