The aiida-gromacs plugin for AiiDA¶
aiida-gromacs
is available at http://github.com/PSDI-UK/aiida-gromacs
If you use this plugin for your research, please cite the following work:
TBD, watch this space.
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-Rayet james.gebbie@stfc.ac.uk or Jas Kalayan jas.kalayan@stfc.ac.uk for information concerning aiida-gromacs
and the AiiDA mailing list for questions concerning aiida
.