[gmx-users] Small molecule-protein complexes MD simulations

[Mark Abraham]

Andrew Voronkov wrote:
> This is of course the question which was discussed many times, but I just  want to ask about updates for it.
> Is there any port for GAFF force field now? Is it possible to prepare small molecule ligands for GROMACs MD with Amber force fields without Amber version installed?

The AMBER tools package is designed to meet this kind of need, I 
understand. See their website.

Mark