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A collection of scripts (Bash, Python) to prepare and run metadynamics simulations, and analyse the resulting free energy surfaces. Frequently used PLUMED setup files are also included. These scripts are no longer being actively maintained, and were developed with a specific directory structure in mind. Thus, they are not guaranteed to work on your system! However, most of them have some attempt at documentation in the source code.
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Run metadynamics simulations and analyse free energy surfaces
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