[gmx-users] how to calculate binding energy using MMPBSA

[Quyen Vu]

There are many guides to do so, here is an example:
https://rashmikumari.github.io/g_mmpbsa/single_protein_ligand_binding_energy.html

On Wed, May 22, 2019 at 6:25 AM mmousivand93 <mmousivand93 at ut.ac.ir> wrote:

> Dear users
>
> I have run a MD simulation 50 ns and I am going to calculate the binding
> energy of DNA-ligand complex using MMPBSA, but I do not know how to do
> this, I appreciate any suggestion.
>
> Best Regards
>
> Maryam
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