[gmx-users] Tetrahedral order

[Omkar Singh]

Thanks Sir,
But it is giving the xpm file. How can I get xvg file?

On Wed, Jul 10, 2019, 06:51 Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 7/9/19 4:24 AM, Omkar Singh wrote:
> > Dear all,
> > I want to calculate the Tetrahedral order parameter through gmx. Can
> anyone
> > help? Eventhough I tried but my system has 500 water molecules Fir that I
> > am unable to make index file because it will take lots of time for typing
> > any suggestions. Commend
> > gmx order -f .xtc -s .tpr -b 0 -e 10000 -n .ndx -nr .ndx  -d y
> -permolecule
>
> You're using the wrong tool. gmx order is explicitly for carbon atoms,
> e.g. alkyl chains in phospholipids. You want gmx hydorder.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
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