[gmx-users] Fwd: analysis of osmolyte at particular distance from backbone

[ISHRAT JAHAN]

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.abraham at 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 <jishrat17 at gmail.com> wrote:
>
> > ---------- Forwarded message ----------
> > From: ISHRAT JAHAN <jishrat17 at gmail.com>
> > Date: Fri, Mar 31, 2017 at 12:51 PM
> > Subject: analysis of osmolyte at particular distance from backbone
> > To: gmx-users at 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
> > --
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