[gmx-users] N-H order parameter
Ahmet yıldırım
ahmedo047 at gmail.com
Tue Dec 24 08:13:18 CET 2013
Dear users,
g_chi computes "Dihedral Order Parameters".
order.xvg:
#Res. S2Min S2Max Phi Psi Omega
1 0.000 0.873 0.000 0.873 0.000
2 0.463 0.853 0.463 0.783 0.853
3 0.476 0.889 0.731 0.476 0.889
...
I need N-H order parameters per residue. They are not in order.xvg. I think
N-H vector comprise of Phi, Psi and Omega? Can I calculate N-H order
parameters as follow?
N-H order paramaters=[(Phi^2)+(Psi^2)+(Omega^2)]^(1/2)
In addition, how can I calculate the order parameters for the Chi1 and Chi2
angles?
Thanks in advance
--
Ahmet Yıldırım
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