GROMACS files for the TIP4P/2005 model: Difference between revisions
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m (GROMACS topology file for the TIP4P/2005 model moved to GROMACS files for the TIP4P/2005 model: Changed to a more appropriate name.) |
(Page now links to all the relevant GROMACS files.) |
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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 [http://emoles.quim.ucm.es/ Carlos Vega Statistical Thermodynamics of Molecular Fluids Group]: | |||
*[http://emoles.quim.ucm.es/gromacs/conf.g96 conf.g96] Coordinate file in Gromos-96 format | |||
*[http://emoles.quim.ucm.es/gromacs/grompp.mdp grompp.mdp] Input file with molecular dynamic parameters | |||
*[http://emoles.quim.ucm.es/gromacs/topol.top topol.top] Topology file | |||
[[category: models]] | [[category: models]] | ||
[[category: water]] | [[category: water]] | ||
Revision as of 17:06, 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:
- conf.g96 Coordinate file in Gromos-96 format
- grompp.mdp Input file with molecular dynamic parameters
- topol.top Topology file