[gmx-users] Binding Free energy calculation

[Dallas Warren]

http://www.alchemistry.org/wiki/Example_Free_Energy_Calculations

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.
On Sun, 25 Nov 2018 at 19:19, KRISHNA PRASAD GHANTA
<chemkrish18 at gmail.com> wrote:
>
> Dear
>   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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