[gmx-users] Angle between normal of rings at same molecule

[David van der Spoel]

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<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?
>> eef
>> ______________________________________
>> Eudes Eterno Fileti
>> Centro de Ciências Naturais e Humanas
>> Universidade Federal do ABC — CCNH
>> Av. dos Estados, 5001
>> Santo André - SP - Brasil
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>> +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.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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