Re: [AMBER] MMGBSA & igb 8

From: Jason Swails <>
Date: Mon, 20 Oct 2014 10:34:01 -0400

On Mon, Oct 20, 2014 at 6:01 AM, <> wrote:

> Dear Users,
> Is there any recommended value for SURFTEN and SURFOFF terms if one
> would like to use igb 8 implicit solvent model for MMGBSA calculation?

​It's no different than the values you'd use for other GB models to my
knowledge. The GB model only specifies how the polar solvation free energy
is calculated. The surften and surfoff parameters control the model for
the nonpolar solvation free energy.​


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Mon Oct 20 2014 - 08:00:03 PDT
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