Hi,

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?

Thanks,

Arneh


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