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Abraham, M.J., Murtola, T., Schulz, R., Páll, S., Smith, J.C., Hess, B., et al. (2015) GROMACS: High Performance Molecular Simulations through Multi-Level Parallelism from Laptops to Supercomputers. SoftwareX, 1-2, 19-25.
https://doi.org/10.1016/j.softx.2015.06.001

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