VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Nov 29 2012 - 15:42:33 CST

On Thu, Nov 29, 2012 at 9:21 PM, Fatemesadat Emami <fe2_at_zips.uakron.edu> wrote:
> Dear vmd users,
> Is there anyway that I can delete the last (most recent) atomselect to free
> some memory? I am using a script that loops over the frames to perform some
> analysis; therefore a long the way the loop is working I don't know the
> number of the atomselects to delete it. After a while I run out of memory
> and the vmd locks and I have to start everything over...

typical sign of a badly written script.
it is likely better to fix the script than
just curing the symptom.

please see the many, many well written
examples that keep track of selections
in variables. there should be lots of examples
in the mailing list archives. i personally have
posted corrected versions of bad scripts
to the list many times.

beyond that, there are often examples where
people create atom selections needlessly,
which not only wastes memory, but also slows
down the calculation.

that all begin said,

atomselect list

should produce a list of all currently existing
atom selections in the current scope.

axel.

>
> I would be appreciated any comment on this
> Thanks
> Fatima
>
> --
> Yours Sincerely,
> Fateme Sadat Emami
> Nano Scale Laboratory
> Polymer Engineering Department
> The University of Akron 

--
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.