VMD-L Mailing List

From: Philip Peartree (p.peartree_at_postgrad.manchester.ac.uk)
Date: Tue Jun 01 2010 - 20:33:54 CDT

Another question...

Is it possible to use the RMSD trajectory tool without a gui, and output the
data to a log file? I would normally use ptraj for this kind of thing, but I
like the option to allow swapping of certain atoms, such as OD1 and OD2 in
Aspartate.

Philip Peartree
University of Manchester