VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Jun 01 2010 - 22:02:36 CDT
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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..
axel.
>
> Philip Peartree
> University of Manchester
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://sites.google.com/site/akohlmey/ Institute for Computational Molecular Science Temple University, Philadelphia PA, USA.
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