Force field implementation

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

	OPLS	AMBER	CHARMM	GAFF	MMFF	QVBMM	UFF	Comments
Abalone	UA	94, 96, 99SB, 03, GS, i					(+)[1]	for proteins and DNA
ACEMD	+	+	+	+
AMBER	+	+	+[2]	+
ArgusLab		+					+	addition to Quantum Chemistry
Ascalaph Designer	UA	94, 99SB, 03
Avogadro				+	94, 94s		+
Balloon					94			"MMFF94-like"
BOSS	+
CHARMM	+	+	+	+[3]	~[4]			CHARMM, AMBER and OPLS force fields are included in the standard CHARMM distribution
chemkit	+	+			+		+
Gabedit		+
Gaussian mm utility		+					+	DREIDING force field is also available
GROMACS	+	+	+	+				CHARMM and AMBER force fields are included in the standard Gromacs distribution since 4.5.0
HyperChem	+	+	(+)[5]					MM+ is also available
MOE	AA	89, 94, 99	22, 27		94(s)
NAMD	+	+	+	+
StruMM3D (STR3DI32)						+		molecules and clusters
Q	+	+	+					for biopolymers
TINKER	UA, AA, AA/L	94, 96, 98, 99	19, 27					for proteins and organic molecules
Towhee	UA, AA	86	19, 22, 27		94		+	Monte Carlo
Yasara		94,96,99,03						Plus custom force fields for hires refinement

See also

• Force field (chemistry)
• List of software for Monte Carlo molecular modeling
• Molecular mechanics
• Molecular design software
• Molecule editor
• Software for molecular mechanics modeling
• Molecular modeling on GPU

References

1. UFF/DREIDING like force field
2. CHARMM force field via "chamber" tool since v11
3. Through CHARMM-GUI
4. Full MMFF94 implementation within CHARMM but code is rumored to have fallen in disrepair
5. as BIO+ implementation