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

Andrew Voronkov drugdesign at yandex.ru
Wed Jun 10 21:24:03 CEST 2009

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?

Best regards,

More information about the gromacs.org_gmx-users mailing list