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

Chih-Ying Lin chihying2008 at gmail.com
Tue Aug 4 19:27:51 CEST 2009

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.

How can I explain this?

Thank you
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