VMD-L Mailing List

From: Pawel Kedzierski (pawel.kedzierski_at_pwr.edu.pl)
Date: Fri Dec 12 2014 - 02:35:54 CST

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,
Paweł Kędzierski