[gmx-users] Regarding entropy of a protein-ligand complex

S M Bargeen Turzo smbargeen.turzo.2016 at owu.edu
Thu Jul 27 17:58:25 CEST 2017


Hi,
I am extremely new to gromacs and I want to calculate the entropy of a
protein-ligand system. I have ran energy minimization and equilibriation on
the complex. I have looked into gmx anaeig but I can't figure out how to do
use this command to get the entropy. Can someone help me with an example?


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