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

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jun 11 01:04:31 CEST 2009

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.


More information about the gromacs.org_gmx-users mailing list