> I have a structure which have Fe and Ni metals inside. As amber does not
> have any Van Der Waals parameters defined for these elements, I need to
> derive these values for the atoms. However I am not sure how I can derive
> (or basically obtain from somewhere) these values. I would be gratefull if
> you help me!
Assuming you are interested in ions, try a google search on
[amber ion parameters], and this reference:
Ion-Induced Stabilization of the G-DNA Quadruplex: Free Energy Perturbation
Studies. W.S. Ross and C.C. Hardin
Journal of the American Chemical Society 116, 6070 (1994).
Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Thu Oct 23 2008 - 23:46:22 PDT
