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This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...

...It was developed at the Otto von Guericke University Magdeburg, Germany, to support the daily work using HTCondor. Version History: Version 0.9.3: - QDarkStyleSheet is an optional package now Version 0.9.2: - New layout of job file editor - Keyword arguments in job file editor - Linux compatibility

experimaestro is an experiment manager, and is composed of (1) a job scheduler that handles dependencies and locking (2) a modular experiment description framework, that allows easy description of the various parts of an experiments.