If you really want to analyze salt effects, you should use the nonlinear PB
equation rather than GB, as it provides a better approximation.
HTH,
Jason
On Wed, Aug 10, 2011 at 9:26 AM, George Tzotzos <gtzotzos.me.com> wrote:
> I'm trying to analyse the effect of ionic strength on the Delta G of
> binding of a protein-ligand complex.
>
> I've been trying to do this by changing saltcon in the script below from
> 0.1 through to 0.8. I've observed little or no difference which does not
> much experimental data.
>
> Is there something else I should be doing? Your advice will be much
> appreciated.
>
> Regards
>
> George
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Aug 10 2011 - 14:30:03 PDT
