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

Mark Abraham mark.j.abraham at gmail.com
Mon Apr 3 09:51:01 CEST 2017


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.


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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