VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Sep 07 2004 - 10:05:00 CDT

Hi,
  Without knowing what kinds of calculations you were doing with VMD,
it is impossible for me to guess why you were having problems. The most
likely cause of your memory issue is that you are creating atom selections
in a loop, but not deleting them. That'd be my guess. If you have something
like this in a loop:
  set sel [atomselect top "some selection"]
then you also need:
  $sel delete

If that isn't your problem, then it would be helpful to see the script(s)
you're using to perform your analysis.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Sep 07, 2004 at 01:58:35PM +0400, S.G.Falkovich wrote:
> Sir,
>
> I have a problem. I tried to make rather difficult calculations for small protein (126 amino acids, PDB ID 2VIC). VMD wasn't able to make such calculations; it sent a message about problems with memory. For proteins with size of 90 a.a. everything was well.
>
>
>
> Is there any solution for my problem?
>
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
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