Comparison of force field implementations

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

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

1. CHARMM-GUI