CFF force field - Revision history

Carl McBride: Reverted edits by 70.135.118.126 (talk) to last revision by Nice and Tidy

2012-01-04T14:32:03Z

Reverted edits by 70.135.118.126 (talk) to last revision by Nice and Tidy

← Older revision		Revision as of 16:32, 4 January 2012
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	#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]		#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]
	[[category:force fields]]		[[category:force fields]]
	~~[http://www.prlog.org/11289974-phone-number-lookup-verizon-phone-number-reverse-lookup-to-get-information-you-need-quickly.html phone address lookup]~~

	~~[http://thetvtopc.com/Reverse_Cell_Phone_Lookup_Number reverse phone number lookup]~~

70.135.118.126 at 05:58, 4 January 2012

2012-01-04T05:58:18Z

← Older revision		Revision as of 07:58, 4 January 2012
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	#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]		#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]
	[[category:force fields]]		[[category:force fields]]
			[http://www.prlog.org/11289974-phone-number-lookup-verizon-phone-number-reverse-lookup-to-get-information-you-need-quickly.html phone address lookup]

			[http://thetvtopc.com/Reverse_Cell_Phone_Lookup_Number reverse phone number lookup]

Nice and Tidy at 11:38, 5 March 2010

2010-03-05T11:38:23Z

← Older revision		Revision as of 13:38, 5 March 2010
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	'''CFF''' ('''c'''onsistent '''f'''orce-'''f'''ield, formerly [[CFF95]]) is a member of the consistent family of force fields ([[CFF91]], [[PCFF]], CFF and [[COMPASS]]), which are closely related second-generation force fields. They were parameterized against a wide range of experimental observables for organic compounds containing [[hydrogen \|H]], [[carbon \|C]], [[nitrogen \|N]], [[oxygen \|O]], [[Sulfur \|S]], [[Phosphorus \|P]], halogen atoms and ions, alkali metal cations, and several biochemically important divalent metal cations. CFF was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.		'''CFF''' ('''c'''onsistent '''f'''orce-'''f'''ield, formerly [[CFF95]]) is a member of the consistent family of force fields ([[CFF91]], [[PCFF]], CFF and [[COMPASS]]), which are closely related second-generation force fields. They were parameterized against a wide range of experimental observables for organic compounds containing [[hydrogen \|H]], [[carbon \|C]], [[nitrogen \|N]], [[oxygen \|O]], [[Sulfur \|S]], [[Phosphorus \|P]], halogen atoms and ions, alkali metal cations, and several biochemically important divalent metal cations. CFF was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.
			==Functional form==
			==Parameters==
	==References==		==References==
	#[http://dx.doi.org/10.1002/jcc.540150207 J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, A. T. Hagler "Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules", Journal of Computational Chemistry '''15''' pp. 162-182 (1994)]		#[http://dx.doi.org/10.1002/jcc.540150207 J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, A. T. Hagler "Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules", Journal of Computational Chemistry '''15''' pp. 162-182 (1994)]
	#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]		#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]
	[[category:force fields]]		[[category:force fields]]

Nice and Tidy: CFF moved to CFF force field

2010-03-05T11:38:02Z

CFF moved to CFF force field

← Older revision	Revision as of 13:38, 5 March 2010
(No difference)

Nice and Tidy: Slight tidy.

2009-03-13T15:19:56Z

Slight tidy.

← Older revision		Revision as of 17:19, 13 March 2009
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	CFF is a member of the consistent family of force fields (CFF91, PCFF, CFF and COMPASS), which are closely related second-generation force fields. They were parameterized against a wide range of experimental observables for organic compounds containing H, C, N, O, S, P, halogen atoms and ions, alkali metal cations, and several biochemically important divalent metal cations. ~~'''~~CFF~~''' ('''c'''onsistent '''f'''orce-'''f'''ield, formerly [[CFF95]])~~ was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.		'''CFF''' ('''c'''onsistent '''f'''orce-'''f'''ield, formerly [[CFF95]]) is a member of the consistent family of force fields ([[CFF91]], [[PCFF]], CFF and [[COMPASS]]), which are closely related second-generation force fields. They were parameterized against a wide range of experimental observables for organic compounds containing [[hydrogen \|H]], [[carbon \|C]], [[nitrogen \|N]], [[oxygen \|O]], [[Sulfur \|S]], [[Phosphorus \|P]], halogen atoms and ions, alkali metal cations, and several biochemically important divalent metal cations. CFF was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.
	==References==		==References==
	#[http://dx.doi.org/10.1002/jcc.540150207 J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, A. T. Hagler "Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules", Journal of Computational Chemistry '''15''' pp. 162-182 (1994)]		#[http://dx.doi.org/10.1002/jcc.540150207 J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, A. T. Hagler "Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules", Journal of Computational Chemistry '''15''' pp. 162-182 (1994)]
	#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]		#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]
	[[category:force fields]]		[[category:force fields]]

62.204.202.144 at 14:46, 13 March 2009

2009-03-13T14:46:49Z

← Older revision		Revision as of 16:46, 13 March 2009
Line 1:		Line 1:
	'''CFF''' ('''c'''onsistent '''f'''orce-'''f'''ield, formerly [[CFF95]]) was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.		CFF is a member of the consistent family of force fields (CFF91, PCFF, CFF and COMPASS), which are closely related second-generation force fields. They were parameterized against a wide range of experimental observables for organic compounds containing H, C, N, O, S, P, halogen atoms and ions, alkali metal cations, and several biochemically important divalent metal cations. '''CFF''' ('''c'''onsistent '''f'''orce-'''f'''ield, formerly [[CFF95]]) was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.
	==References==		==References==
	#[http://dx.doi.org/10.1002/jcc.540150207 J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, A. T. Hagler "Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules", Journal of Computational Chemistry '''15''' pp. 162-182 (1994)]		#[http://dx.doi.org/10.1002/jcc.540150207 J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, A. T. Hagler "Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules", Journal of Computational Chemistry '''15''' pp. 162-182 (1994)]
	#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]		#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]
	[[category:force fields]]		[[category:force fields]]

Nice and Tidy: Slight tidy.

2009-03-13T13:32:33Z

Slight tidy.

← Older revision		Revision as of 15:32, 13 March 2009
Line 1:		Line 1:
	CFF (formerly CFF95) was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.		'''CFF''' ('''c'''onsistent '''f'''orce-'''f'''ield, formerly [[CFF95]]) was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.

	==References==		==References==
	#[http://dx.doi.org/10.1002/jcc.540150207]		#[http://dx.doi.org/10.1002/jcc.540150207 J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, A. T. Hagler "Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules", Journal of Computational Chemistry '''15''' pp. 162-182 (1994)]
	#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243 - 247 (2000)]		#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243-247 (2000)]
	[[category:force fields]]		[[category:force fields]]

62.204.202.144 at 12:37, 13 March 2009

2009-03-13T12:37:21Z

← Older revision		Revision as of 14:37, 13 March 2009
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	~~{{Stub-general}}~~		CFF (formerly CFF95) was parameterized for additional functional groups beyond CFF91. It is recommended for all life sciences applications and for organic polymers such as polycarbonates and polysaccharides.
	~~The '''consistent force-field'''~~ (~~CFF~~).

	==References==		==References==
			#[http://dx.doi.org/10.1002/jcc.540150207]
	#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243 - 247 (2000)]		#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243 - 247 (2000)]
	[[category:force fields]]		[[category:force fields]]

Nice and Tidy at 13:17, 15 October 2007

2007-10-15T13:17:34Z

← Older revision		Revision as of 15:17, 15 October 2007
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			{{Stub-general}}
	The '''consistent force-field''' (CFF).		The '''consistent force-field''' (CFF).

Carl McBride: New page: The '''consistent force-field''' (CFF). ==References== #[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized s...

2007-04-26T12:48:10Z

New page: The '''consistent force-field''' (CFF). ==References== #[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized s...

New page

The '''consistent force-field''' (CFF).

==References==
#[http://dx.doi.org/10.1039/a909475j Svava Ósk Jónsdóttir and Kjeld Rasmussen "The consistent force field. Part 6: an optimized set of potential energy functions for primary amines", New Journal of Chemistry '''24''' pp. 243 - 247 (2000)]
[[category:force fields]]