AMBER Archive (2008)

Subject: Re: AMBER: problem when running energy minimization with polarizable potential

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Sep 09 2008 - 13:32:27 CDT

On Mon, Sep 08, 2008, Yongmei Pan wrote:
>
> the error shown in the output file is:
> "EXTRA_PTS: too many nghbrs!!"

We would need to know how you set up the extra-point simulation. If you
system is unusual or complex, you might try a very simple peptide first,
and then work your way up to more complex problems.

...dac

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