TIP4P/Ice model of water

The TIP4P/Ice model is a re-parameterisation of the TIP4P potential for simulations of ice phases. TIP4P/Ice is a rigid planar model, having a similar geometry to the original Bernal and Fowler model.

Parameters

$r_{\mathrm {OH} }$ (Å)	$\angle$HOH , deg	$\sigma$ (Å)	$\epsilon /k$ (K)	q(O) (e)	q(H) (e)	q(M) (e)	$r_{\mathrm {OM} }$ (Å)
0.9572	104.52	3.1668	106.1	0	0.5897	-2q(H)	0.1577

• DL_POLY FIELD file for the TIP4P/Ice model
• GROMACS topology file for the TIP4P/Ice model

Virial coefficients

The second virial coefficient has been calculated by Chialvo et al .

Melting point

$T_{m}=269.8\pm 0.1$ K .