VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Wed Apr 24 2013 - 18:02:10 CDT

Reassigning the variable doesn't delete the atomselect object. I have learned the hard way to always follow the pattern:

set sel [atomselect top "some selection text"]
... do something with the $sel ...
$sel delete

especially when the selection comes in a loop.

On Apr 24, 2013, at 4:51 PM, Lorenzo Gontrani wrote:

Dear VMD users and developers, I need to calculate several rdfs for quite large trajectories, and, from some tests I ran, I could see that the GPU version of gofr script (rdf) is actually very fast, but I noticed that i cannot easily calculate all the rdf together (i. e. launching vmd -dispdev only once) because the memory usage grows very rapidly with multiple selections. I read in the old posts that it should be possible to delete the selection with $sel delete (at the moment, my script overwrites sel1 and sel2, but a different "atomselect??" is echoed on the screen, so I guess that it is a new selection and the variable is not overwritten). Does anybody have experience about that?

Thanks a lot for any help
Lorenzo 

--
==========================================
 Lorenzo Gontrani
 Research associate of CNR-ISM (Rome Tor Vergata)
 EDXD group of University of Rome "La Sapienza"
 GSM +39 338 7615798
 Email lorenzo DOT gontrani AT gmail DOT com
 Webpage: http://webcaminiti/gontrani.html
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