Hi again,
I still haven't solved my problem of finding a force field suitable for
Gadolinium, a metal ion. How do I incorporate metal ions in my molecular
system? Please kindly acknowledge if you have received this email and
forward it to the list.
Thanks,
Lili
2008/11/6 Lili Peng <lpeng.ucsd.edu>
> 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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Received on Fri Dec 05 2008 - 16:12:05 PST
