AMBER Archive (2008)

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

From: Yongmei Pan (amber20080905_at_gmail.com)
Date: Tue Sep 09 2008 - 15:36:33 CDT

David

Yes, what you said is ture. I used a structure with unusual atom types
defined by myself. Probably this is the reason. I tried another system. it
ran well.

Yongmei

On 9/9/08, David A. Case <case_at_biomaps.rutgers.edu> wrote:
>
> 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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