This is a table of notable computer programs implementing molecular mechanics force fields.
Program OPLS AMBER CHARMM GAFF MMFF QVBMM UFF Comments Abalone For proteins, DNA, ligands AMBER Ascalaph Designer Avogadro Balloon MMFF94-like BOSS CHARMM * * * CHARMM-GUI * in standard distribution Gabedit Gaussian mm utility Dreiding field available GROMACS * * * in standard distribution since v4.5.0 MOE NAMD Openbabel Q For biopolymers Tinker For proteins, organic molecules Yasara Plus custom fields for hires refinement
See also Force field (chemistry) List of software for Monte Carlo molecular modeling Molecular mechanics Molecular design software Molecule editor Comparison of software for molecular mechanics modeling Molecular modeling on GPU
References