Re: [AMBER] Warning in free energy output file

From: Carlos Simmerling via AMBER <amber.ambermd.org>
Date: Wed, 28 Sep 2022 11:56:13 -0400

you might want to search the archive on the amber web page for this error,
there seem to be many prior posts discussing it.

On Wed, Sep 28, 2022 at 11:49 AM Sayan Poddar via AMBER <amber.ambermd.org>
wrote:

> Dear AMBER developers and Users,
>
> I am trying to calculate the free energy of a glycoprotein-protein complex
> using both the PB and GB methods. I haven't received any error or warning
> message during initiation and have completed the calculation. However,
> there is a warning message printed in the output file.
>
> It is written that
>
> *"WARNING: INCONSISTENCIES EXIST WITHIN INTERNAL POTENTIALTERMS. THE
> VALIDITY OF THESE RESULTS ARE HIGHLY QUESTIONABLE"*
>
> So what this warning means? And is there any way to solve it?
>
> Thank you
>
> --
> *with regards*
> *Sayan Poddar*
>
> *PhD Research Scholar*
> *Department of Biosciences and Biomedical Engineering*
> *Indian Institute of Technology Indore*
> *India*
> _______________________________________________
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>
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Received on Wed Sep 28 2022 - 09:00:06 PDT
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