On Wed, Jun 27, 2012, Soumya Lipsa Rath wrote:
>
> I am working with MD simulation of DNA solvation. I have two systems
> comprising of DNA + water and DNA + organic solvent respectively. I am
> trying to calculate the binding free energy of water and organic solvent to
> DNA.
It's not at all clear what you mean by the "binding free energy" of DNA to
solvent. Without a careful definition, I can't offer any advice, except to
say that it certainly doesn't sound like something MMPBSA could do. (But then
again, it doesn't *sound* like something any computation or experiment could
measure.)
....dac
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Received on Wed Jun 27 2012 - 05:00:02 PDT
