[gmx-users] Binding Free energy calculation

KRISHNA PRASAD GHANTA chemkrish18 at gmail.com
Sun Nov 25 09:19:49 CET 2018

  Gromacs User , I am working on protein and Ionic liquid interaction. I am trying to calculate the Ionic liquid binding free energy per ionic liquid molecule, is there any way by which I can predict the binding free energy 
In pre processing or post processing simulation.

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