[gmx-users] Angle between normal of rings at same molecule
mitomaster at gmail.com
Mon Jan 11 21:05:33 CET 2010
I'm not sure if this can be done with any of the gromacs tools, but
using the linalg module from numpy library will help you. But be aware
that a flip by 180 degrees is meaningful for you, but
undistinguishable for the mathematical procedure. This issue can be
more or less easily solved depending on your system.
2010/1/11 Eudes Fileti <fileti at ufabc.edu.br>:
> Dear gmx-users,
> I have a molecule with two rings and would like to
> calculate the angle between the normal vector of these rings.
> Anyone have idea of how this can be done?
> Eudes Eterno Fileti
> Centro de Ciências Naturais e Humanas
> Universidade Federal do ABC — CCNH
> Av. dos Estados, 5001
> Santo André - SP - Brasil
> CEP 09210-971
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