I'm having problems running the analyze_trajectories.py script from the command line to analyze a Desmond trajectory. Do you have any suggestions?

The analyze_trajectories.py script is not really designed to be run directly from the command line. Instead, it was designed as the backend for the Simulation Event Analysis GUI, which you should open from Maestro:

Applications → Desmond → Simulation Event Analysis

In earlier releases, it is on the Scripts menu:

Scripts → Molecular Dynamics → Desmond Simulation Event Analysis

Keywords: simulation event, trajectory analysis, Desmond

Back to Search Results