VMD-L Mailing List

From: Leonhard Henkes (leonhard.henkes_at_tu-dortmund.de)
Date: Thu Nov 07 2013 - 15:37:50 CST

Dear VMD users,

I would like to ask if there is a way to run a VMD Tcl script during an
interactive MD run in NAMD and how it should or could be implemented ? For
demonstration and lecturing, I setup a small system with two graphene
sheets and a C60 ball. Now I would like to to change the color/material of
a molecule and draw some text on the VMD screen, if a trigger point is
passed.
However I tried to add some VMD commands (atomselect, measure etc.) to my
NAMD config, which didn't work. I also tried to add my conditionals into
the VMD script, which manages the synchronization and representation by an
for the IMD, but I couldn't manage to update my script for each frame
during the IMD run.

Thanks for your help and ideas,
Leo