SPC/FQ model of water

The SPC/FQ model is a variant of the SPC model, having fluctuating charges.

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)

References

1. Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics 101 pp. 6141-6156 (1994)