TIP4P-Ew model of water: Difference between revisions

Revision as of 15:58, 2 July 2009

The TIP4P/Ew water model is a re-parameterisation of the standard TIP4P model for use with Ewald techniques ^[1] ^[2].

These parameters are taken from Ref. 1 Table I:

$r_{\mathrm {OH} }$ (Å)	$\angle$ HOH , deg	$\sigma$ (Å)	$\epsilon$ (kcal.mol^-1)	q(O) (e)	q(H) (e)	q(M) (e)	$r_{\mathrm {OM} }$ (Å)
0.9572	104.52	3.16435	0.162750	0	0.52422	-2q(H)	0.1250

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