VMD-L Mailing List

From: Björn Forsberg (bjorn.forsberg_at_scilifelab.se)
Date: Wed Oct 08 2014 - 03:37:23 CDT

Hi,

I am trying to script vmd to do perform hydrogen-bond analysis for many
short simulation trajectories, and invoke

vmd -e script.tcl

for every such trajectory. this script contains bsic instructions for
loading files and selecting, and then commands like

hbonds -sel1 atomselect0 -writefile yes -outfile hbond.dat

This works fine, but throws up an unnecessary GUI every time, so I want
to run it by modifying the vmd call to

vmd -dispdev text -e script.tcl

However vmd does in this case not recognise the plugin, saying

invalid command name "hbonds"

I did find that the plugin is a tcl script that may be executable in
itself, but could not figure out how to use it in that case. Do I need
to manually load the plugins in text-mode, or are they simply not
available in text mode?

Cheers,

Björn