VMD-L Mailing List
From: pbrenne1_at_nd.edu
Date: Wed Jan 12 2005 - 08:56:43 CST
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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
- Next message: John Stone: "Re: Fwd: linux FC3 VMD vs insightII conflict"
- Previous message: Dr. Daniel James White PhD: "Fwd: linux FC3 VMD vs insightII conflict"
- Next in thread: John Stone: "Re: Deleting atomselect selections for proper memory management"
- Reply: John Stone: "Re: Deleting atomselect selections for proper memory management"
- Reply: Justin Gullingsrud: "Re: Deleting atomselect selections for proper memory management"
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