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

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** a [[temperature]] of 298 K  
** a [[temperature]] of 298 K  
** a [[pressure]] of 1 bar
** a [[pressure]] of 1 bar
** 8.000.000 [[molecular dynamics]] [[time step]]s
** 8,000,000 [[molecular dynamics]] [[time step]]s
** Van der Waals: 8.5Å cut-off with long range corrections
** Van der Waals: 8.5Å cut-off with long range corrections
** [[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

Revision as of 17:28, 18 February 2009

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