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The aiida-gromacs plugin for AiiDA

aiida-gromacs is available at http://github.com/jimboid/aiida-gromacs

If you use this plugin for your research, please cite the following work:

Author Name1, Author Name2, Paper title, Jornal Name XXX, YYYY (Year).

If you use AiiDA for your research, please cite the following work:

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016); https://doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.

aiida-gromacs is released under the MIT license.

Please contact james.gebbie@stfc.ac.uk for information concerning aiida-gromacs and the AiiDA mailing list for questions concerning aiida.

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