[gmx-users] Theta and gamma angle between tyrosines

Archana Sonawani-Jagtap ask.archana at gmail.com
Tue Feb 19 21:12:07 CET 2019


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?



More information about the gromacs.org_gmx-users mailing list