A command-line utility to easily create, setup, and submit a set of MD experiments to a job scheduler on a cluster. Initially supports GROMACS simulations and the PBS job scheduler.
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A command-line utility to easily create, setup, and submit a set of MD experiments to a job scheduler on a cluster. Initially supports GROMACS simulations and the PBS job scheduler.
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picodase/mdsimple
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A command-line utility to easily create, setup, and submit a set of MD experiments to a job scheduler on a cluster. Initially supports GROMACS simulations and the PBS job scheduler.
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