From: Axel Kohlmeyer (
Date: Tue Jun 01 2010 - 22:02:36 CDT

On Wed, 2010-06-02 at 02:33 +0100, Philip Peartree wrote:
> 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.

not directly. a brief look at the script file
however reveals that with some additional scripting
effort it might be possible to write an text mode
interface. not for the faint of heart, tho..


> Philip Peartree
> University of Manchester

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.