SPC model of water

The simple point charge empirical model (SPC) of water. The molecule is modelled as a rigid triangle, having the following parameters

parameter	value
$\sigma$	3.166${\mathrm {\AA} }$
$\epsilon$	0.650 kJ mol$^{-1}$
${\mathcal {l}}$	1.000${\mathrm {\AA} }$
$\theta _{\mathrm {HOH} }$	$109.47^{\circ }$
$q_{\mathrm {O} }$	-0.82 $e$

References

1. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren and J. Hermans, in: Intermolecular Forces (B. Pullman, ed.), Reidel, Dordrecht, p. 331 (1981).