VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Dec 12 2014 - 10:48:19 CST
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Hi,
I've updated the plugin to correct the parsing of "TOTAL2" to
"POTENTIAL" used by the current version of NAMD per your suggestions.
Thanks for reporting this.
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Fri, Dec 12, 2014 at 09:35:54AM +0100, Pawel Kedzierski wrote:
>
> Dear VMD developers (and users),
>
> There is a small glitch with the VMD plugin "Extensions->Analysis->NAMD
> Plot" which prevents plotting of potential energy. Some versions of
> NAMD2 ago, the respective column in the tables printed out by NAMD2 was
> "TOTAL2" and the plugin still searches for that header, spitting errors
> if this column is selected for the plot.
>
> The fix is very simple so everyone can do it for himself with just a
> text editor. Simply locate the file namdplot.tcl in your VMD
> installation (should be in plugins/noarch/tcl/namdplot1.1/namdplot.tcl
> as for VMD 1.9.2beta1), and replace all occurrences of words:
>
> TOTAL2 to POTENTIAL
> yplottotal2 to yplotpotential
>
> (the second one is not strictly necessary but for naming consistency).
> It would be nice if this small fix could make its way to the distributed
> version of VMD.
> Thanks,
> Pawe?? K??dzierski
>
>
>
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/
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