SPC/F model of water

The SPC/F model is a modified version of the simple point-charge model SPC for water. The SPC model is rigid, whilst the SPC/F model is flexible. This model gives the correct density and dielectric permittivity of water. The model implemented in the computer programs MDynaMix and Abalone.

Parameters

parameter	value
$\sigma$	$---{\mathrm {\AA} }$
$\epsilon$	$---$ kJ mol-1
$r_{\mathrm {OH} }$	$---\mathrm {\AA}$
$\angle _{\mathrm {HOH} }$	$---^{\circ }$
$q_{\mathrm {O} }$	$----e$
$q_{\mathrm {H} }$	$q_{\mathrm {O} }/2$ (charge neutrality)