[gmx-users] crash

Tsjerk Wassenaar t.a.wassenaar at chem.rug.nl
Mon Aug 11 09:37:01 CEST 2003

Hi Derrick,

This doesn't say a thing about the nature of the crash. But considering 
that the first step already fails, there is probably something very 
wrong with your starting configuration. Have you energy minimized? Are 
there still any bad contacts, overlaps and so on?

Hope it helps. Cheers,


Derrick Guang Yuh Lee wrote:

>dear gmx-users
>i was just curious if anyone could answer a quick question, when i ran a
>simulation it produced two *.pdb file (step0.pdb and step-1.pdb) when i
>read the pdb file, the HEADER of step0.pdb stated "crash" and the HEADER
>of step-1.pdb stated "one step before crash". obviously this is cases a
>bit of concern on my part... so, could anyone fill me in to a possible
>cause for this crash? thank you.
> - derrick
> derrick Lee
> faculty of Science
> Memorial University of Newfoundland
> k24dgyl at mun.ca or derrickglee at hotmail.com
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