On 1/11/10 9:05 PM, Krzysztof Mlynarczyk wrote:
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.
g_sgangle
Christopher
2010/1/11 Eudes Fileti<[email protected]>:
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?
eef
______________________________________
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
+55.11.4437-0196
http://fileti.ufabc.edu.br
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David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
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