[gmx-users] Theta and gamma angle between tyrosines

[Archana Sonawani-Jagtap]

Hi,

I have to plot theta and gamma angles between tyrosines throughout the
simulation to check if they are involved in pi-pi interactions. I have
plotted the centroid distance between tyrosines. But don't know which atoms
form theta and gamma angle.

How to get centroid atom for tyrosine using gromacs?

Thanks

Archana