[gmx-users] Plotting ligand index number corresponding to minimum distance data

Pandya, Akash akash.pandya.15 at ucl.ac.uk
Tue Feb 12 11:09:02 CET 2019

Hi all,

I have multiple ligands in my system. I have calculated the minimum distance between the COM of my binding site and the ligand molecules. I was wondering if there was a way I can also include a second Y axis showing the ligand index number corresponding to the minimum distance data. The aim is to identify the ligand molecules that maybe "visiting" the binding site during the course of the simulation.

I hope that makes sense and someone will be able to help me.

Thanks in advance,


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