AMBER Archive (2009)

Subject: Re: [AMBER] PES QM and MM

From: Bill Ross (
Date: Thu Sep 17 2009 - 11:08:35 CDT

> 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).


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