From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Dec 12 2014 - 10:48:19 CST

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/