Re: Loading and analysis of DCD file (~300 MB)

From: Stephan Grein (
Date: Thu Jul 24 2014 - 06:45:54 CDT

Dear all,

for now i just delete my representations with $mysel1 delete and $mysel2
delete at the end of each for loop iteration. This helps!
Can you elaborate on this maybe please? I think it's because atom
representations may take some memory, and not deleting them will produce
a quasi-memory leak :)

> Dear all,
> i have a simple analysis script, but nevertheless it will exit with a
> bad_alloc (cannot allocate region) after analysing the first 1000 of
> 1100 frames.
> I could narrow the problem down - i think it's because i'm generating
> in the for loop many representation with atomselect - could this be true?
> It's a bit time consuming to create the representations out of the loop.
> Find attached the script please.
> Any hints would be appreciated.
> Best regards,
> Stephan

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