Molecular Dynamics Simulation: GROMACS

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  2. Abraham, M. J., Murtola, T., Schulz, R., Páll, S., Smith, J. C., Hess, B., & Lindahl, E. (2015). GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX, 1, 19-25.

  3. Filipe, H. A., & Loura, L. M. (2022). Molecular dynamics simulations: Advances and applications. Molecules, 27(7), 2105.

  4. Smith, A., Dong, X., & Raghavan, V. (2022). An overview of molecular dynamics simulation for food products and processes. Processes, 10(1), 119.

  5. González, M. A. (2011). Force fields and molecular dynamics simulations. École thématique de la Société Française de la Neutronique, 12, 169-200.

  6. https://training.galaxyproject.org/training-material/topics/computational-chemistry/tutorials/md-simulation-gromacs/tutorial.html

  7. https://manual.gromacs.org/current/user-guide/flow.html

  8. https://epcced.github.io/20220421_GROMACS_introduction/aio.html

  9. https://adkgromacstutorial.readthedocs.io/en/latest/emin.html