NAMD-Automator

A GUI to automate Workflow for setting up and run NAMD simulations

Brought to you by: rohanbioinfo

Downloads: 4 This Week

Last Update: 2025-07-31

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Welcome to NAMD-Automator, a user-friendly graphical interface designed to simplify the process of Molecular Dynamics (MD) Simulation, by creating configuration files, and automate the simulation with simple form-based tabs. NAMD is one of the widely used software for running these simulations, known for its scalability, speed and efficiency with large molecular systems. However, setting up a typical simulation in NAMD usually requires crafting configuration file for each stage of a Conventional MD Simulation (CMD), such as Minimization, Heating, Equilibration and Production. Following a detailed workflow after creating the files, deciding what should be the content of these files and how to execute the NAMD in command line interface can be challenging for users who are not familiar with scripting or command-line tools. Keeping this in mind, NAMD-Automator was created to make the process easier and more accessible.

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2025-07-15

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