[gmx-users] How can I select a group number automatically

[Chandan Choudhury]

Use echo

$echo 0 | g_msd -s topol.tpr -f traj.xtc

Chandan

On Wed, Sep 24, 2014 at 9:35 AM, Xiaobin Cao <xcao at lsu.edu> wrote:

> Hi Gromacs users,
>
> When I do msd analysis (g_msd), there is a promotion to select a group
> number. I am wondering  how can I select a number using a script. So the
> computer can do analysis automatically.
>
> Thank you.
>
> _____________________________________________
> Xiaobin Cao
> Dept of Geology & Geophysics
> E235, Howe-Russell Geosciences Complex,
> Louisiana State University, Baton Rouge, LA 70803, U.S.A.
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-- 

--
Chandan Kumar Choudhury
National Chemical Laboratory, Pune
India

*"All work and no play makes Jack a dull boy...”*