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
$\sigma$	$3.166{\mathrm {\AA} }$
$\epsilon$	$0.65$ kJ mol-1
$r_{\mathrm {OH} }$	$1.00\mathrm {\AA}$
$\angle _{\mathrm {HOH} }$	$109.47^{\circ }$
$q_{\mathrm {O} }$	$-0.82e$
$q_{\mathrm {H} }$	$q_{\mathrm {O} }/2$ (charge neutrality)