[AMBER] closest distance between ligand and particular amino-acid residues during MD simulation

From: Rinsha Chk <rinshachk.gmail.com>
Date: Mon, 8 Jul 2019 16:58:44 +0530

Dear AMBER users,
I am doing 10ns MD simulation on a protein-ligand complex (using Amber16).
And I would like to know how one can determine the closest distance between
the ligand and particular residues from the MD trajectory (1000
snapshots), and analyze how this closest distance varies during the 10ns
simulation, or how many times these closest distances are revisited during
the simulation.

Thank you
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Received on Mon Jul 08 2019 - 05:00:03 PDT
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