From: Fabrice Yerly
Subject: Re Europium force field parms
Date: Mon, 11 Mar 2002 08:32:59 +0100
New parameters for the Gadolinium(III) has been recently published in
Chem. Eur. J., 2002, 8, 1031-1039
With:
\sigma_{ii} = 3.207 \AA
\epsilon_{ii} = 0.20 kcal/mol
Charge = +3.0
Eu(III) and Gd(III) have similar size and charge, so these parameters should
fit.
Good luck
Fabrice