[gmx-users] How to choose the best pose of ligand from the trajectory file?

Hassan Aaryapour hassan.gromacs at gmail.com
Thu Dec 25 23:03:50 CET 2014

Dear Gromacs Users

How can I find and score protein-ligand binding poses and choose the best
pose or frame from the trajectory file after doing a Molecular dynamics
simulation of 40ns?

Best Wishes

More information about the gromacs.org_gmx-users mailing list