Re: [AMBER] the dielectric constant for mixed solvent in mmpbsa

From: Jason Swails <>
Date: Tue, 19 Nov 2013 20:02:32 -0500

On Tue, Nov 19, 2013 at 7:39 PM, Fengxue Li <> wrote:

> Hi,all
> When I
> used the MM-PBSA method as implemented in AMBER 12 to calculate the
> binding free energy,I
> created a solvent box around the solute UNIT.The box contained two
> solvents,such as solvent A and solvent B.The dielectric constant for the
> solvent A is 33,The dielectric constant for the solvent B is 3,and their
> volume ratio is 1:1,I want to know how to determine the dielectric
> constant for the mixed solvent ?

Did you try searching for the answer on Google? A quick Google search of
"dielectric constant of mixed solvent" yields a promising first hit.

It's an article in Fluid Phase Equilibria titled "Computation of Dielectric
Constants of Solvent Mixtures and Electrolyte Solutions".

Good luck,
Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Tue Nov 19 2013 - 17:30:03 PST
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