[MMTK] normal mode output

Pat Fleming pat.fleming at jhu.edu
Tue Nov 18 19:08:46 CET 2003


Thanks, I will try this. But what I really was after was a way to 
decouple viewing from mmtk. I would like to have mmtk write out a 
"trajectory" of the normal mode displacements as either a binary file or 
as multiple PDB files.

The actual normal mode calculation is being done on a remote machine and 
I would like to bring back the results to a local machine for viewing 
and analysis.

Ryan Bannen wrote:

> If you are using VMD to do the visualization, there is a nice and easy way to 
> export PDBs of the individual states of the trajectories.  Once in VMD, in 
> the "File" pull down menu, choose "Save Trajectory...".  There, you can 
> choose the kind of output you want as well as specifying the frame or frames 
> you want to export.
> 
> Is this was you were asking for or am I misunderstanding your question?
> 
> ryan.

-- 
Patrick Fleming, Ph.D.
The Johns Hopkins University
Department of Biophysics
201 Jenkins Hall
3400 North Charles Street
Baltimore, MD 21218

Tel: 410-516-7654
Fax: 410-516-4118




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