[gmx-users] Different force field: Gromacs vs Autodock

Mark Abraham Mark.Abraham at anu.edu.au
Wed Aug 5 02:52:13 CEST 2009

Chih-Ying Lin wrote:
> Hi
> I use Gromacs (ffG45a3) to run MD in the protein vs ligand system.
> Then, I use Autodock to calculate the protein-ligand binding energy.
> As I know the force fields are different between ffG45a3 and Autodock.
> The two different force fields explain the same system.

The two different force fields can be used to model the same system, yes.

> How can I explain this?

I'm not sure what you're asking.


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