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Article ID: 291 - Last Modified:

I want to use multiple trajectories in the Simulation Event Analysis script to analyze a Desmond MD simulation. Is there a way I can combine multiple trajectories for use with the script?

Yes, you can use the script that comes with Desmond in Suite 2009 Update 2. This will allow you to merge trajectories. To get a usage statement, type:

$SCHRODINGER/run -FROM desmond -h

The script is documented fully in the Desmond User Manual.

Keywords: Desmond, combining multiple trajectories, MD analysis

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