AMBER Archive (2008)

Subject: AMBER: Force field for Gd (gadolinium)?

From: Lili Peng (lpeng_at_ucsd.edu)
Date: Thu Nov 06 2008 - 03:05:26 CST

Hi AMBER,

I'd like to know if there are any force fields applicable for Gadolinium
(Gd)? I've read that the force field by Jirka Kozelka is applied for
transition state metals, but Gd is not a transition state metal. Does
anyone have an idea of how I should go about parameterization Gd and
constructing it in xLeap?

Properties of Gd can be found here:**
http://www.webelements.com/gadolinium/

Any advice on this would be greatly appreciated.

Lili

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