TIP4P-Ew model of water

The TIP4P/Ew water model is a re-parameterisation of the standard TIP4P model for use with Ewald techniques.

Parameters

These parameters are taken from Ref. 1 Table I:

$r_{\mathrm {OH} }$ (Å)	$\angle$HOH , deg	$\sigma$ (Å)	$\epsilon$ (kcal.mol-1)	q(O) (e)	q(H) (e)	q(M) (e)	$r_{\mathrm {OM} }$ (Å)
0.9572	104.52	3.16435	0.162750	0	0.52422	-2q(H)	0.1250

See also

• TIP4P/2005
• TIP4P/Ew
• TIP4P/FQ
• TIP4P-HB
• TIP4P/ice

References

1. Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics 120 pp. 9665-9678 (2004)
2. Hans W. Horn, William C. Swope, and Jed W. Pitera "Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point", Journal of Chemical Physics 123 194504 (2005)
3. 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)