From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Jan 12 2005 - 10:22:00 CST

Paul,
  Which tutorial were you reading? (there are several that relate to
VMD, so I want to make sure we fix the one that is missing the $sel delete)
I've warned tutorial authors about this before, but one of these must
have slipped through the cracks.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Jan 12, 2005 at 09:56:43AM -0500, pbrenne1_at_nd.edu wrote:
>
> I was using VMD to calculate the O(number of dcds)^2 RMSD values that I need to
> implement a clustering algorithm and noticed that it is very important to
> specifically delete atomselect selections in .tcl scripts. The example script
> on page 36 of the tutorial might want to include a "$sel delete" line. I
> noticed this when the results of some batch jobs with a large number of dcds
> terminated early. They were overflowing a machine with 2GB of memory...
>
> Just a comment that I thought would be beneficial in the archive.
>
> Paul Brenner
>

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