[gmx-users] bending angle between 2 vectors defined by cm of groups of atoms
battistia at libero.it
battistia at libero.it
Wed May 15 18:13:16 CEST 2013
Dear users and experts,
do you know if it is possible make the bending angle calculation in the following case?
I have got three groups (G1, G2, G3) into a system.
I have to define the center of mass of each one. I have to calculate the bending angle defined by vector 1 and vector 2.
vector 1: by the center of mass of G1 to the center of mass of G2.vector 2: by the center of mass of G2 to the center of mass of G3
Is it possible do this calculation with gromacs?
Thank you!
Anna
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