[gmx-users] which tool to use a measure a user-defined angle in a traj
ababakha at mccammon.ucsd.edu
Fri Jul 13 18:06:16 CEST 2007
Looking through the gmx tools . . . was wondering, which tool would one
use (if such a tool exists) to measure the fluctuation of a user-defined
angle in a trajectory.
For instance, I want to measure the angle defined by a carbonyl vector
(a vector going through a C=O bond) in my molecule and the z-axis of the
simulation box. How do I define this angle, and which tool would I use
to measure it in each frame of my trr?
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