Editing TIP4P/Ice model of water
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<ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref> | <ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref> | ||
is a re-parameterisation of the [[TIP4P]] potential for simulations of [[ice phases]]. | is a re-parameterisation of the [[TIP4P]] potential for simulations of [[ice phases]]. | ||
TIP4P/ | TIP4P/ice is a rigid planar model, having a similar geometry to the original [[BF |Bernal and Fowler model]]. | ||
==Parameters== | ==Parameters== | ||
[[Image:Four_site_water_model.png|center|400px]] | [[Image:Four_site_water_model.png|center|400px]] | ||
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*[[DL_POLY FIELD file for the TIP4P/ | *[[DL_POLY FIELD file for the TIP4P/ice model]] | ||
*[[GROMACS topology file for the TIP4P/ | *[[GROMACS topology file for the TIP4P/ice model]] | ||
==Liquid-vapour equilibria== | ==Liquid-vapour equilibria== | ||
*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics '''125''' 034503 (2006)] | |||
==References== | ==References== | ||
<references/> | <references/> |