Comparison of force field implementations

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This is a table of computer programs implementing molecular mechanics force fields.

Program OPLS AMBER CHARMM GAFF MMFF QVBMM UFF Comments
Abalone UA 94, 96, 99SB, 03, GS, i No No No No UFF-Dreiding-like field For proteins, DNA
ACEMD Yes Yes Yes Yes No No No
AMBER Yes Yes Via chamber tool since v11 Yes No No No
ArgusLab No Yes No No No No Yes Addition to quantum chemistry
Ascalaph Designer UA 94, 99SB, 03 No No No No No
Avogadro No No No Yes 94, 94s No Yes
Balloon No No No No 94 No No MMFF94-like
BOSS Yes No No No No No No
CHARMM Yes* Yes* Yes* Via CHARMM-GUI[1] Full MMFF94, but code rumored unmaintained No No * in standard distribution
chemkit Yes Yes No No Yes No Yes
Gabedit No Yes No No No No No
Gaussian mm utility No Yes No No No No Yes Dreiding field available
GROMACS Yes Yes* Yes* Yes No No No * in standard distribution since v4.5.0
HyperChem Yes Yes As BIO+ implementation No No No No MM+ available
MOE AA 89, 94, 99 22, 27 No 94(s) No No
NAMD Yes Yes Yes Yes No No No
StruMM3D (STR3DI32) No No No No No Yes No Molecules and clusters
Q Yes Yes Yes No No No No For biopolymers
Tinker UA, AA, AA/L 94, 96, 98, 99 19, 27 No No No No For proteins, organic molecules
Towhee UA, AA 86 19, 22, 27 No 94 No Yes Monte Carlo
Yasara No 94, 96, 99, 03 No No No No No Plus custom fields for hires refinement

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