[gmx-users] MMGBSA

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Sun Nov 17 06:19:28 CET 2019


Hi
   You can use MM/GBSA module in schrodinger software which is not free.
Otherwise you can follow the following tutorial for performing MM/PBSA
which is similar to MM/GBSA..

http://rashmikumari.github.io/g_mmpbsa/Tutorial.html
This plug-in you can install in your system and it can read the gromacs
trajectories to compute free energy difference.

On Sun 17 Nov, 2019, 9:43 AM Shradheya R.R. Gupta, <shradheyagupta at gmail.com>
wrote:

> Hi,
> Is there any tutorial to learn how to do MMGBSA for protein-ligand complex.
>
> Thanks
> Shradheya Gupta
> DBT-BIF University of Rajasthan
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