[gmx-users] Improper angle value

[Alexander]

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