[gmx-users] crash

[Dallas Warren]

Derrick,

>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.

Open them up and have a look.  In my experience, it tends to happen when 
the system is exploding for some reason, whether the entire system or some 
particular region.  Check your log files, that will have more complete 
details there on what is happening.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
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