Editing GROMACS files for the TIP4P/2005 model
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
Latest revision | Your text | ||
Line 1: | Line 1: | ||
The following are links to the files for the [[TIP4P/2005]] model of [[water]] for use in the [[GROMACS]] computer | 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:// | *[http://emoles.quim.ucm.es/gromacs/conf.g96 conf.g96] Coordinate file in Gromos-96 format | ||
*[http:// | *[http://emoles.quim.ucm.es/gromacs/grompp.mdp grompp.mdp] Input file with molecular dynamic parameters | ||
*[http:// | *[http://emoles.quim.ucm.es/gromacs/topol.top topol.top] Topology file | ||
[[category: models]] | [[category: models]] | ||
[[category: water]] | [[category: water]] |