Re: minimization problem - "Bad global exclusion count, possible error!"

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Thu Jan 29 2004 - 17:19:39 CST

Hello,

Have you read the namdtroubleshooting wiki page?
http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdTroubleshooting

>From that page one might be led to think there is something wrong in your
psf file. Are there any disulfide bonds in the proteins that make up the
complex? If so these are definitely not being included in your psf file.

Regards
Brian

On Thu, 29 Jan 2004, Frances Leung wrote:

> Hi,
>
> I'm trying to do the minimization for a protein complex and keep getting
> these warnings:
>
> Warning: Bad global exclusion count, possible error!
> Warning: Increasing cutoff during minimization may avoid this.
>
> Does anyone know what this means? The log file is attached.
>
> Regards,
>
> Frances
>

*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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