Re: FATAL ERROR: Bad global exclusion count!

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Mon Jun 01 2009 - 13:05:24 CDT

On Mon, 2009-06-01 at 13:37 -0400, KIRTANA S wrote:
> After running my simulation I am getting the error as :
> Reason: FATAL ERROR: Bad global exclusion count!

how many steps does it run?
have you visualized the resulting trajectory?
this kind of message usually appears if something
goes very wrong, eg. your system could be "exploding",
due to bad atom positions or parameters.

>
> : here I have attached my .psf file , and parameter file

please note, that your mailer (or operating system?) assumes
those files to be in "rich text format" and silently converts
them by adding lots of useless stuff that break the format.
nobody can use them.

also without a namd config and a starting coordinate file
they are useless. if you want people to track down your
problems, you have to provide all files necessary to
recreate what you are seeing.

cheers,
   axel.

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.

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