VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sun Aug 20 2006 - 14:09:50 CDT

Hi,
  If you're running out of memory during analysis, but not just due to
loading the trajectory, this most likely indicates that you are forgetting
to delete atom selections inside a loop. Double check that you're
remembering to call $sel delete on each selection you create in loops..

  John Stone
  vmd_at_ks.uiuc.edu

On Sun, Aug 20, 2006 at 01:56:30PM +0100, alexandra.marques_at_fc.up.pt wrote:
> Hi
>
> I want analyze my mdcrd trajectory with some Tcl scripts, namely, calculate the
> rmsd for individual residues using the residue_rmsd.tcl script. However my
> trajectory is large and when I start the calculation vmd crashes. Is there any
> easy way to analyse large mdcrd files from amber?
>
> Thanks
> Alex
>
>
>
>
>
>
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NIH Resource for Macromolecular Modeling and Bioinformatics
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