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
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

References

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

Categories

This article was sourced from Creative Commons Attribution-ShareAlike License; additional terms may apply. World Heritage Encyclopedia content is assembled from numerous content providers, Open Access Publishing, and in compliance with The Fair Access to Science and Technology Research Act (FASTR), Wikimedia Foundation, Inc., Public Library of Science, The Encyclopedia of Life, Open Book Publishers (OBP), PubMed, U.S. National Library of Medicine, National Center for Biotechnology Information, U.S. National Library of Medicine, National Institutes of Health (NIH), U.S. Department of Health & Human Services, and USA.gov, which sources content from all federal, state, local, tribal, and territorial government publication portals (.gov, .mil, .edu). Funding for USA.gov and content contributors is made possible from the U.S. Congress, E-Government Act of 2002.

Crowd sourced content that is contributed to World Heritage Encyclopedia is peer reviewed and edited by our editorial staff to ensure quality scholarly research articles.

By using this site, you agree to the Terms of Use and Privacy Policy. World Heritage Encyclopedia™ is a registered trademark of the World Public Library Association, a non-profit organization.

Force field implementation