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

[Chih-Ying Lin]

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.


How can I explain this?

Thank you
Lin
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