[gmx-users] Improper angle value

[Lieven Buts]

Alexander wrote:
> 
> Hi Anton,
> 
> >Using rasmol2.7, I measured the improper dihedral angle to be
> >0.6 degrees, which is different from your 1.3. How did you
> >obtain/calculate your angle?
> 
> I've obtain it from HyperChem 6.03 (-178.731Deg) and my own program
> (1.32Deg) by standard formula of angle between two squares:
> cosX=(A*A`+B*B`+C*C`)/(sqrt(A^2+B^2+C^2)*sqrt(A`^2+B`^2+C`^2)).
> I'll check my calculations manually and inform you soon.
> 
> Best regards,
> 
> Alexander Yakovenko
> Institute of Molecular Biology & Genetic of NAS of Ukraine
> 03143
> acad.Zabolotnogo str. 150
> Kiev
> Ukraine
> ______________________________________________
> E-mail: yakovenko_a at ukr.net
> 
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