VMD-L Mailing List
From: Justin Gullingsrud (justin_at_ks.uiuc.edu)
Date: Wed Apr 30 2003 - 17:56:32 CDT
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Thomas,
Thanks for letting us know about this problem. We've found and corrected
the problem that was leading to your out of memory condition.
I might also suggest:
> proc rmsd_resid { frame } {
>
> global time_betw_frame selection rmsd_selec fid20 reference1 num_resid
>
> # the selection and frame used for fitting
> set compare1 [atomselect top $selection frame $frame]
Since compare1 is always the same selection, just with a different frame
it will be much faster to create compare1 only once, then call
$compare1 frame $frame
to set the frame. This will also make it unnecessary to delete the selection
below.
>
> # compute the transformation
> set trans_mat1 [measure fit $compare1 $reference1]
>
> $compare1 delete
> unset compare1
Cheers,
Justin
-- Justin Gullingsrud 3111 Beckman Institute 217-244-8946 I been dropping the new science, and I be kicking the new knowledge, and I'm seeing to a degree that you can't get in college. -- b.boys
- Next message: John Stone: "Re: Some comments about stereo with nvidia cards & shutter glasses"
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- In reply to: Thomas Hedegaard Pedersen: "Memory problems using the "move" command inside a loop!"
- Next in thread: Joe Huang: "Re: Memory problems using the "move" command inside a loop!"
- Reply: Joe Huang: "Re: Memory problems using the "move" command inside a loop!"
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