GROMACS files for the TIP4P/2005 model: Difference between revisions

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** [[Electrostatics]]: 8.5Å cut-off with [[Ewald sum]] for the long-range corrections
** [[Electrostatics]]: 8.5Å cut-off with [[Ewald sum]] for the long-range corrections
** [[Nosé-Hoover thermostat]]
** [[Nosé-Hoover thermostat]]
** [[Parrinello-Raman barostat]]
** [[Parrinello-Rahman barostat]]


[[category: models]]
[[category: models]]
[[category: water]]
[[category: water]]

Revision as of 10:31, 17 November 2010

The following are links to the files for the TIP4P/2005 model of water for use in the GROMACS computer simulation package. These files are located on the web pages of the Carlos Vega Statistical Thermodynamics of Molecular Fluids Group: