GAFF force field - Revision history

Carl McBride: Added a recent publication

2016-12-01T11:37:16Z

Added a recent publication

← Older revision		Revision as of 13:37, 1 December 2016
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	[http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield \|AMBER force field]] and it has parameters for almost all the organic molecules made of [[Carbon \|C]], [[Nitrogen \|N]], O, H, S, P, F, Cl, Br and I. As a complete force field, GAFF is suitable to study a large number of molecules in an automated fashion.		[http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) <ref>[http://dx.doi.org/10.1002/jcc.20035 Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case "Development and testing of a general amber force field", Journal of Computational Chemistry '''25''' pp. 1157-1174 (2004)]</ref> is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield \|AMBER force field]] and it has parameters for almost all the organic molecules made of [[Carbon \|C]], [[Nitrogen \|N]], O, H, S, P, F, Cl, Br and I. As a complete force field, GAFF is suitable to study a large number of molecules in an automated fashion. GAFF has also been optimised for the study of [[liquid crystals]] <ref>[http://dx.doi.org/10.1039/C5CP03702F Nicola Jane Boyd and Mark R. Wilson "Optimization of the GAFF force field to describe liquid crystal molecules: the path to a dramatic improvement in transition temperature predictions", Physical Chemistry Chemical Physics '''17''' pp. 24851-24865 (2015)]</ref>.
	==Functional form==		==Functional form==
	==Parameters==		==Parameters==
	==References==		==References==
	~~#[http:~~//dx.doi.org/10.1002/jcc.20035 Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case "Development and testing of a general amber force field", Journal of Computational Chemistry '''25''' pp. 1157-1174 (2004)]		<references/>
	[[category: Force fields]]		[[category: Force fields]]

Nice and Tidy at 12:07, 5 March 2010

2010-03-05T12:07:37Z

← Older revision		Revision as of 14:07, 5 March 2010
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	[http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield \|AMBER force field]] and it has parameters for almost all the organic molecules made of [[Carbon \|C]], [[Nitrogen \|N]], O, H, S, P, F, Cl, Br and I. As a complete force field, GAFF is suitable to study a large number of molecules in an automated fashion.		[http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield \|AMBER force field]] and it has parameters for almost all the organic molecules made of [[Carbon \|C]], [[Nitrogen \|N]], O, H, S, P, F, Cl, Br and I. As a complete force field, GAFF is suitable to study a large number of molecules in an automated fashion.
			==Functional form==
			==Parameters==
	==References==		==References==
	#[http://dx.doi.org/10.1002/jcc.20035 Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case "Development and testing of a general amber force field", Journal of Computational Chemistry '''25''' pp. 1157-1174 (2004)]		#[http://dx.doi.org/10.1002/jcc.20035 Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case "Development and testing of a general amber force field", Journal of Computational Chemistry '''25''' pp. 1157-1174 (2004)]
	[[category: Force fields]]		[[category: Force fields]]

Nice and Tidy: GAFF moved to GAFF force field

2010-03-05T12:07:18Z

GAFF moved to GAFF force field

← Older revision	Revision as of 14:07, 5 March 2010
(No difference)

Nice and Tidy: Added a reference.

2009-03-24T14:07:27Z

Added a reference.

← Older revision		Revision as of 16:07, 24 March 2009
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	[http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield \|AMBER force field]] and it has parameters for almost all the organic molecules made of [[Carbon \|C]], [[Nitrogen \|N]], O, H, S, P, F, Cl, Br and I. As a complete force field, GAFF is suitable to study a large number of molecules in an automated fashion.		[http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield \|AMBER force field]] and it has parameters for almost all the organic molecules made of [[Carbon \|C]], [[Nitrogen \|N]], O, H, S, P, F, Cl, Br and I. As a complete force field, GAFF is suitable to study a large number of molecules in an automated fashion.
	==References==		==References==
			#[http://dx.doi.org/10.1002/jcc.20035 Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case "Development and testing of a general amber force field", Journal of Computational Chemistry '''25''' pp. 1157-1174 (2004)]
	[[category: Force fields]]		[[category: Force fields]]

Nice and Tidy: New page: [http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield |AMBE...

2009-03-24T14:01:51Z

New page: [http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield |AMBE...

New page

[http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield |AMBER force field]] and it has parameters for almost all the organic molecules made of [[Carbon |C]], [[Nitrogen |N]], O, H, S, P, F, Cl, Br and I. As a complete force field, GAFF is suitable to study a large number of molecules in an automated fashion.
==References==
[[category: Force fields]]