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kassonlab / run_brer

Python package for running bias-resampling ensemble refinement (BRER) simulations
GNU Lesser General Public License v2.1
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Update test.yml #67

Closed eirrgang closed 2 years ago

eirrgang commented 2 years ago

Resume using latest gmxapi Python package.

https://gitlab.com/gromacs/gromacs/-/issues/4563 seems to be resolved, and new packages have been uploaded to PyPI

eirrgang commented 2 years ago

duplicate of #66