[gmx-users] Protein Ligand Interaction or Docking using Gromacs

[Kalyan Reddy]

Neha:

GROMACS is not a tool for doing docking studies. You can perform docking
using Autodock/ GLIDE/ HADDOCK etc.

After performing docking, with the best docked pose, you can go for
molecular dynamics simulations, where you can study protein-ligand
interactions.


All the Best.


On Wed, Apr 23, 2014 at 1:25 PM, neha_bharty <nehabharty123 at gmail.com>wrote:

> Hello
>
> I want to find the protein ligand interaction using gromacs.
> Is it possible to perform protein-ligand docking with the help of gromacs
> or
> I have to dock the protein and ligand with some tools like autodock and
> then
> only I can view its interaction using gromacs??
>
> Is there any tutorial to perform Protein - ligand interaction or docking
> using gromacs??
>
> which force field or time steps are require for this study?
>
> Thanks.
>
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-- 

Kalyan Reddy