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Article ID: 90 - Last Modified:

I have two trajectories that I want to merge and view in Maestro. Is there a way to do that?

Yes. Use the manipulate_trj.py script to merge the trajectories:

$SCHRODINGER/run -FROM desmond manipulate_trj.py -mode [merge|concat] input.cms outfile in-trj1 in-trj2

You may use a .cms file from either simulation. manipulate_trj.py will not overwrite your original .cms file. Run the command with the -h option to see a usage message.

Keywords: Desmond

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