Test prerelease gmx. - Githubissues

kassonlab / run_brer

Python package for running bias-resampling ensemble refinement (BRER) simulations

GNU Lesser General Public License v2.1

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Closed eirrgang closed 2 years ago

eirrgang commented 2 years ago

Add automated testing for development branch of GROMACS and latest prerelease of gmxapi.

eirrgang commented 2 years ago

To be superseded by #75 once a new gmxapi 0.4 beta package is uploaded.