[gmx-users] Regarding OH, HH vector distribution

[David van der Spoel]

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