[gmx-users] Regarding OH, HH vector distribution

[Omkar Singh]

Hi,
I did by  "gmx gangle ..." command. But I am not getting good result,
because I have a doubt in ndx file.  Can you help me for making  ndx file.
How should I select the atom for vectors.
Thanks

On Mon, Jul 29, 2019, 22:50 David van der Spoel <spoel at xray.bmc.uu.se>
wrote:

> Den 2019-07-29 kl. 18:26, skrev Omkar Singh:
> > Hi,
> > Meaning is that If I want to calculate angle between OH, HH and dip
> vector
> > with positive Z-axis. How can I make index file for this issue? And is it
> > possible that the angle distribution of these vectors for bulk water
> > aproximatly linear. Hope now question is clear.
> Probably. Check gmx gangle -g2 z
> >
> > Thanks
> >
> > On Mon, Jul 29, 2019, 16:33 David van der Spoel <spoel at xray.bmc.uu.se>
> > wrote:
> >
> >> Den 2019-07-29 kl. 12:24, skrev Omkar Singh:
> >>> Hello everyone,
> >>> Is it possible that the probability distribution of HH, OH vector for
> >> bulk
> >>> water is approximately linear?
> >>>
> >> What do you mean?
> >>
> >> --
> >> David van der Spoel, Ph.D., Professor of Biology
> >> Head of Department, Cell & Molecular Biology, Uppsala University.
> >> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
> >> http://www.icm.uu.se
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>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Head of Department, Cell & Molecular Biology, Uppsala University.
> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
> http://www.icm.uu.se
> --
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