SPC/ε water model

The SPC/ε model is a modified version of the simple point-charge model SPC for water.

Parameters

parameter	value
$\sigma$	$3.1785{\mathrm {\AA} }$
$\epsilon$	$84.9$ kB
$r_{\mathrm {OH} }$	$1\mathrm {\AA}$
$\angle _{\mathrm {HOH} }$	$109.45^{\circ }$
$q_{\mathrm {O} }$	$-0.99e$
$q_{\mathrm {H} }$	$|q_{\mathrm {O} }|/2$ (charge neutrality)