VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Nov 16 2010 - 15:33:50 CST

>From what you describe, it makes sense to me that namdenergy is
yielding an error. I suppose we could change the behavior to do something
else when the selection becomes empty (return zero energies?), but
this is what the original author of the plugin chose to do in this
case. If you like, you could modify the namdenergy script to do this
yourself, it probably isn't too difficult. I'm out of town for the next
10 days so there's not much I can do about this until I return.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Nov 16, 2010 at 08:35:20PM +0000, David Huggins wrote:
> Dear All,
> I am using namdenergy through a tcl script and am updating my atom
> selection every frame using -updatesel.
> However, in some frames there are no atoms in the selection (this is
> expected) and VMD quits saying "Both selections must contain at least one
> atom". How can I prevent this?
> Thanks,
> Dave
>
> --
> Dr David J. Huggins
> Fellow, Pembroke College, University of Cambridge
>
> Hutchison/MRC Research Centre
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> Cambridge
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-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
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