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

[Mark Abraham]

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
> --
> 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-request at gromacs.org.
>