Re: [AMBER] Input files for MMPBSA

From: Jason Swails <>
Date: Mon, 15 Oct 2012 07:52:56 -0400

On Sun, Oct 14, 2012 at 10:54 PM, Tommy Yap <> wrote:

> Dear all,
> I have a question regarding MMPBSA. I am going to run it in the future. Is
> it necessary to have at least 3 input files for MMPBSA in order to obtain
> the binding free energy? Please assist. Thanks.

No, it's not necessary. There is a tutorial that demonstrates how to use
MM/PBSA in Amber (

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
Received on Mon Oct 15 2012 - 05:00:03 PDT
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