[gmx-users] Different force field: Gromacs vs Autodock
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?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users