TIP4P-Ew model of water - Revision history

Nice and Tidy: TIP4P-Ew moved to TIP4P-Ew model of water

2010-02-23T14:49:07Z

TIP4P-Ew moved to TIP4P-Ew model of water

← Older revision	Revision as of 16:49, 23 February 2010
(No difference)

Nice and Tidy: Corrected name of model in text.

2009-07-02T13:59:38Z

Corrected name of model in text.

← Older revision		Revision as of 15:59, 2 July 2009
Line 1:		Line 1:
	The '''TIP4P/Ew''' [[water]] model is a re-parameterisation of the standard [[TIP4P]] model for use with [[Ewald sum \| Ewald]] techniques		The '''TIP4P-Ew''' [[water]] model is a re-parameterisation of the standard [[TIP4P]] model for use with [[Ewald sum \| Ewald]] techniques
	<ref>[http://dx.doi.org/10.1063/1.1683075 Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)]</ref>		<ref>[http://dx.doi.org/10.1063/1.1683075 Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)]</ref>
	<ref>[http://dx.doi.org/10.1063/1.2085031 Hans W. Horn, William C. Swope, and Jed W. Pitera "Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point", Journal of Chemical Physics '''123''' 194504 (2005)]</ref>.		<ref>[http://dx.doi.org/10.1063/1.2085031 Hans W. Horn, William C. Swope, and Jed W. Pitera "Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point", Journal of Chemical Physics '''123''' 194504 (2005)]</ref>.
Line 16:		Line 16:
	==Liquid-vapour equilibria==		==Liquid-vapour equilibria==
	*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics '''125''' 034503 (2006)]		*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics '''125''' 034503 (2006)]
	~~==See also==~~
	*[[TIP4P/2005]]
	*[[TIP4P/Ew]]
	*[[TIP4P/FQ]]
	*[[TIP4P-HB]]
	*[[TIP4P/Ice]]

	==References==		==References==
	<references/>		<references/>

Nice and Tidy: TIP4P/Ew moved to TIP4P-Ew: Corrected name of model

2009-07-02T13:58:36Z

TIP4P/Ew moved to TIP4P-Ew: Corrected name of model

← Older revision	Revision as of 15:58, 2 July 2009
(No difference)

Nice and Tidy: /* See also */ Corrected name of model

2009-06-10T16:24:16Z

Nice and Tidy: /* Parameters */ Updated image

2009-06-08T16:13:53Z

Parameters: Updated image

← Older revision		Revision as of 18:13, 8 June 2009
Line 4:		Line 4:
	==Parameters==		==Parameters==
	These parameters are taken from Ref. 1 Table I:		These parameters are taken from Ref. 1 Table I:
	[[Image:~~Water_empirical1~~.~~png~~\|center\|~~300px~~]]		[[Image:Four_site_water_model.png‎\|center\|400px]]


Line 13:		Line 13:
	\| 0.9572 \|\| 104.52 \|\| 3.16435 \|\| 0.162750 \|\| 0 \|\| 0.52422 \|\| -2q(H) \|\| 0.1250		\| 0.9572 \|\| 104.52 \|\| 3.16435 \|\| 0.162750 \|\| 0 \|\| 0.52422 \|\| -2q(H) \|\| 0.1250
	\|}		\|}

	==Liquid-vapour equilibria==		==Liquid-vapour equilibria==
	*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics '''125''' 034503 (2006)]		*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics '''125''' 034503 (2006)]

Carl McBride: Started a section on the Liquid-vapour equilibria

2009-05-12T15:27:38Z

Started a section on the Liquid-vapour equilibria

← Older revision		Revision as of 17:27, 12 May 2009
Line 1:		Line 1:
	The '''TIP4P/Ew''' [[water]] model is a re-parameterisation of the standard [[TIP4P]] model for use with [[Ewald sum \| Ewald]] techniques.		The '''TIP4P/Ew''' [[water]] model is a re-parameterisation of the standard [[TIP4P]] model for use with [[Ewald sum \| Ewald]] techniques
			<ref>[http://dx.doi.org/10.1063/1.1683075 Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)]</ref>
			<ref>[http://dx.doi.org/10.1063/1.2085031 Hans W. Horn, William C. Swope, and Jed W. Pitera "Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point", Journal of Chemical Physics '''123''' 194504 (2005)]</ref>.
	==Parameters==		==Parameters==
	These parameters are taken from Ref. 1 Table I:		These parameters are taken from Ref. 1 Table I:
Line 11:		Line 13:
	\| 0.9572 \|\| 104.52 \|\| 3.16435 \|\| 0.162750 \|\| 0 \|\| 0.52422 \|\| -2q(H) \|\| 0.1250		\| 0.9572 \|\| 104.52 \|\| 3.16435 \|\| 0.162750 \|\| 0 \|\| 0.52422 \|\| -2q(H) \|\| 0.1250
	\|}		\|}
			==Liquid-vapour equilibria==
			*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics '''125''' 034503 (2006)]
	==See also==		==See also==
	*[[TIP4P/2005]]		*[[TIP4P/2005]]
Line 19:		Line 22:
	*[[TIP4P/ice]]		*[[TIP4P/ice]]
	==References==		==References==
	~~#[http:~~//dx.doi.org/10.1063/1.1683075 Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)]		<references/>
	#[http://dx.doi.org/10.1063/1.2085031 Hans W. Horn, William C. Swope, and Jed W. Pitera "Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point", Journal of Chemical Physics '''123''' 194504 (2005)]
	#[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice", Journal of Chemical Physics, '''125''' 034503 (2006)]
	[[Category: Water]]		[[Category: Water]]
	[[Category: Models]]		[[Category: Models]]

	{{Numeric}}		{{Numeric}}

Carl McBride: Added parameters

2008-04-01T14:21:19Z

Added parameters

@@ Line 1: / Line 1: @@
-{{Stub-water}}
+The '''TIP4P/Ew'''  [[water]] model is a  re-parameterisation of the standard [[TIP4P]]  model for use with [[Ewald sum | Ewald]] techniques.
-This [[water]] model is a  re-parameterisation of the standard [[TIP4P]] water model for use with [[Ewald sum | Ewald]] techniques.
+==Parameters==
 ==References==
 #[http://dx.doi.org/10.1063/1.1683075     Hans W. Horn, William C. Swope,  Jed W. Pitera,      Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and  Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)]
@@ Line 7: / Line 24: @@
 [[Category: Water]]
 [[Category: Models]]

Carl McBride: /* References */

2007-10-18T09:39:42Z

References

← Older revision		Revision as of 11:39, 18 October 2007
Line 2:		Line 2:
	This [[water]] model is a re-parameterisation of the standard [[TIP4P]] water model for use with [[Ewald sum \| Ewald]] techniques.		This [[water]] model is a re-parameterisation of the standard [[TIP4P]] water model for use with [[Ewald sum \| Ewald]] techniques.
	==References==		==References==
	*[http://dx.doi.org/10.1063/1.1683075 Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)]		#[http://dx.doi.org/10.1063/1.1683075 Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)]
	*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice", Journal of Chemical Physics, '''125''' 034503 (2006)]		#[http://dx.doi.org/10.1063/1.2085031 Hans W. Horn, William C. Swope, and Jed W. Pitera "Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point", Journal of Chemical Physics '''123''' 194504 (2005)]
			#[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice", Journal of Chemical Physics, '''125''' 034503 (2006)]
	[[Category: Water]]		[[Category: Water]]
	[[Category: Models]]		[[Category: Models]]

Nice and Tidy at 11:07, 20 September 2007

2007-09-20T11:07:59Z

← Older revision		Revision as of 13:07, 20 September 2007
Line 1:		Line 1:
			{{Stub-water}}
	This [[water]] model is a re-parameterisation of the standard [[TIP4P]] water model for use with [[Ewald sum \| Ewald]] techniques.		This [[water]] model is a re-parameterisation of the standard [[TIP4P]] water model for use with [[Ewald sum \| Ewald]] techniques.
	==References==		==References==

Carl McBride at 09:57, 6 June 2007

2007-06-06T09:57:33Z

← Older revision		Revision as of 11:57, 6 June 2007
Line 1:		Line 1:
			This [[water]] model is a re-parameterisation of the standard [[TIP4P]] water model for use with [[Ewald sum \| Ewald]] techniques.
	==References==		==References==
			*[http://dx.doi.org/10.1063/1.1683075 Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)]
	*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice", Journal of Chemical Physics, '''125''' 034503 (2006)]		*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice", Journal of Chemical Physics, '''125''' 034503 (2006)]

	[[Category: Water]]		[[Category: Water]]
	[[Category: Models]]		[[Category: Models]]

← Older revision		Revision as of 18:24, 10 June 2009
Line 21:		Line 21:
	*[[TIP4P/FQ]]		*[[TIP4P/FQ]]
	*[[TIP4P-HB]]		*[[TIP4P-HB]]
	*[[TIP4P/~~ice~~]]		*[[TIP4P/Ice]]

	==References==		==References==
	<references/>		<references/>