[gmx-users] crash

[Tsjerk Wassenaar]

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,

Tsjerk

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.
>
>
>sincerley
>
> - derrick
>
>
>
> derrick Lee
> faculty of Science
> Memorial University of Newfoundland
> k24dgyl at mun.ca or derrickglee at hotmail.com
> 
>"a teacher is never a giver of truth - he is a guide, a pointer to the
>truth that each student must find for himself. a good teacher is merely a
>catalyst." 
>                                                              - bruce lee
>
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