[gmx-users] dihedral angle
Nilesh Dhumal
ndhumal at andrew.cmu.edu
Tue Nov 15 19:46:42 CET 2011
Hello,
I am trying to calculate the dihedral angle between four points.
I considered two planes (ABC & BCD) and calculate the dot products of two
normals (n1 and n2)to these plane.
theta=cos-1(n1.n2)
I compared theeta values of dihedral angle with ampac and some values are
negative. I am geting all positive value.
Any one knows how to calculate sign of dihedral angle.
Thanks
Nilesh
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