# Difference between revisions of "SPC/E model of water"

The extended simple point charge model, SPC/E is a slight reparameterisation of the SPC model of water, with a modified value for $q_{\mathrm{O}}$. The molecule is modelled as a rigid isosceles triangle, having charges situated on each of the three atoms. Apart from Coulombic interactions, the molecules interact via long-range Lennard-Jones sites, situated on the oxygen atoms. The parameters are as follows:
 parameter value $\sigma$ $3.166 {\mathrm {\AA}}$ $\epsilon$ $0.650$ kJ mol-1 $r_\mathrm{OH}$ $1.000\mathrm{\AA}$ $\angle_\mathrm{HOH}$ $109.47^{\circ}$ $q_{\mathrm{O}}$ $-0.8476 e$ $q_{\mathrm{H}}$ $q_{\mathrm{O}}/2$ (charge neutrality)