[gmx-users] gmx distance

[Evan Lowry]

Why not using gmx rdf to get the radial distribution function?

Evan L.
On Jul 9, 2016 8:24 AM, <amitbehra at chemeng.iisc.ernet.in> wrote:

> Hello users,
> I wanted to calculate Oxygen-Oxygen pair distance of a simple bulk water
> simulation. I made group of all the oxygen atoms using make_ndx.
> Now I am trying to use " gmx distance" :
> gmx distance -f water_whole.xtc -s water.tpr -n index.ndx -oav
> distances_oo.xvg
> But this is giving wrong output.
> Can anyone help me in how to properly use gmx distance ???
>
> Regards,
> Amit Behera
>
>
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