[gmx-users] Minimum distance of ligand molecules

Pandya, Akash akash.pandya.15 at ucl.ac.uk
Tue Feb 19 12:54:00 CET 2019

Hi all,

For example if I have 200 ligand molecules in my system, is there a way of plotting the identity of those ligands in the form of an index (e.g. 1,2,3, etc...) with minimum distance from the binding sites as function of time?


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