Re: [AMBER] MMPBSA Electrostatic energy

From: Jason Swails <>
Date: Wed, 11 Nov 2015 11:52:28 -0500

On Wed, Nov 11, 2015 at 11:49 AM, Asma Abro 28-FBAS/MSBI/F09 <> wrote:

> And if it is the case, then that means the results of MMPBSA are not valid?

​I don't know what "it is the case" means. Nor do I know what "valid"
means in this context.

MMPBSA is an approximation, but it is a very well-described (and rather
popular) one.

> What do you think maybe the problem?

​It is not clear to me that there *is* a problem.

> For getting improved and better
> results, do we need to change the dielectric constant value?

​Are you using a solvent besides water? If not, then "no".


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Wed Nov 11 2015 - 09:00:06 PST
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