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.
regards
Albert
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