Becksteinlab/GromacsWrapper: Release 0.8.1
- Oliver Beckstein
- Pedro Lacerda
- Jan Domański
- Andrew White
- David Dotson
- Thomas Heavey
- Max Linke
- Richard Gowers
- Cody
- Ian Kenney
- Shujie Fan
- denniej0-2
- Yura
- Andy Somogyi
- Andrej Berg
- Marcin Magnus
- Mohamad Mohebifar
- Philip Loche
Publication date
July 2021
DOIAbstract
Bug fixes and improved testing see CHANGES for fixes (mostly to make it work under Python 3) tested with Gromacs 2021.1, 2020.6, 2019.1, 2018.6, 4.6.5 (and Gromacs 5 and 2016.x should als work) tested with Python 2.7 and 3.6 – 3.9 tested on Linux and macOS (Windows should work but we don't have Gromacs builds for testing
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