[gmx-users] Regarding calculation of angles
Dilip H N
cy16f01.dilip at nitk.edu.in
Sun Apr 9 18:27:18 CEST 2017
Suppose for eg., in glycine how can i calculate the angle between nitrogen
and hydrogen attached to it, angle between C alpha and H alpha etc.,
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On Sun, Apr 9, 2017 at 9:49 PM, Dilip H N <cy16f01.dilip at nitk.edu.in> wrote:
> I have ran a amino acid simulation, and i want to calculate the angle
> between the atoms in amino acid molecule. how can i calculate it..??
> gmx angle [-f [<.xtc/.trr/...>]] [-n [<.ndx>]] [-od [<.xvg>]]......
> 1] here what index does it refer to .?? is it similar to the the RDF
> indexing ..??
> 2] how can i make these indexes...??
> Thank you
> With Best Regards,
> Ph.D Student
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With Best Regards,
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