[gmx-users] Using AMBER FF with GROMACS

Albert mailmd2011 at gmail.com
Wed Feb 6 14:31:02 CET 2013

On 02/06/2013 01:15 PM, Berk Hess wrote:
> Hi,
> All AMBER force fields in Gromacs which are also available in AMBER have been validated against energies from the AMBER package.
> Cheers,
> Berk

How about the latest Amber 12 SB FF? When will it be available in Gromacs?
And also the latest CHARMM36 FF for protein? Currently, there is only 
CHARMM36 FF for lipids. It seems that the CHARMM36 FF for protein 
introduced the nbfix term which is absent in any previous version of 
CHARMM. probably this would take sometime to be introduced to Gromacs.


More information about the gromacs.org_gmx-users mailing list