Editing GROMACS files for the TIP4P/2005 model

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The following are links to the files for the [[TIP4P/2005]] model of [[water]] for use in the [[GROMACS]] computer [[Materials modelling and computer simulation codes |simulation package]]. These files are  located on the web pages of the [http://catalan.quim.ucm.es/ Carlos Vega Statistical Thermodynamics of Molecular Fluids Group]:
The following are links to the files for the [[TIP4P/2005]] model of [[water]] for use in the [[GROMACS]] computer [[Materials modelling and computer simulation codes |simulation package]]. These files are  located on the web pages of the [http://emoles.quim.ucm.es/ Carlos Vega Statistical Thermodynamics of Molecular Fluids Group]:


*[http://catalan.quim.ucm.es/gromacs/conf.g96 conf.g96] the coordinate file in [[GROMOS | GROMOS-96]] format
*[http://emoles.quim.ucm.es/gromacs/conf.g96 conf.g96] the coordinate file in [[GROMOS | GROMOS-96]] format
*[http://catalan.quim.ucm.es/gromacs/topol.top topol.top] the topology file
*[http://emoles.quim.ucm.es/gromacs/topol.top topol.top] the topology file
*[http://catalan.quim.ucm.es/gromacs/grompp.mdp grompp.mdp] the input file with the following simulation parameters
*[http://emoles.quim.ucm.es/gromacs/grompp.mdp grompp.mdp] the input file with the following simulation parameters
** 360 water molecules
** 360 water molecules
** a [[temperature]] of 298 K  
** a [[temperature]] of 298 K  
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