[gmx-users] MMGBSA

Shradheya R.R. Gupta shradheyagupta at gmail.com
Sun Nov 17 08:01:40 CET 2019


Thanks for replying. I will try it.

On Sun, 17 Nov, 2019, 10:49 AM Bratin Kumar Das, <
177cy500.bratin at nitk.edu.in> wrote:

> 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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