Date: 8 April 2025 @ 16:00 - 19:00

Register This is the beginner-to-intermediate level, in-depth workshop for users with no prior experience using Molecular Dynamics tools. Participants will be guided through AMBER and NAMD software for preparing and performing simulations of biomolecular systems, VMD for visualizing trajectories and manipulating PDB files, and Python for analyzing and plotting simulation data. Sessions: Day 1: Practical considerations for Molecular Dynamics.Day 2: Visualizing Structures with VMD.Day 3: Molecular Dynamics with AMBER and NAMD.Day 4: Analyzing Molecular Dynamics Data with PYTRAJ.  We will be using the online programming environment Jupyter for our teaching. Your browser must be reasonably up-to-date for this to work. You can access Jupyter Hub with current versions of Chrome, Safari, and Firefox. (Some older browsers, such as Internet Explorer 9 and lower, may not be sufficient).

Keywords: Python, Programming, Visualization


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