Comparison of force-field implementations


This is a table of notable computer programs implementing molecular mechanics Force [field (chemistry)|force fields].
ProgramOPLSAMBERCHARMMGAFFMMFFQVBMMUFFComments
AbaloneFor proteins, DNA, ligands
AMBER
Ascalaph Designer
Avogadro
BalloonMMFF94-like
BOSS
CHARMM**** in standard distribution
Gabedit
Gaussian mm utilityDreiding field available
GROMACS*** in standard distribution since v4.5.0
MOE
NAMD
Openbabel
QFor biopolymers
TinkerFor proteins, organic molecules
YasaraPlus custom fields for hires refinement