> I am working on optimizing VDW parameters of one metal ion
Here's a paper where we go into parameterizing monovalent cations
at length:
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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 17 2009 - 09:30:02 PDT
