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Use newer GROMACS build (#50)
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mattwthompson authored Jan 2, 2024
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2 changes: 1 addition & 1 deletion devtools/conda-envs/full.yaml
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Expand Up @@ -22,7 +22,7 @@ dependencies:
- qcportal
- qcengine
- openeye-toolkits
- gromacs =2023.3=nompi_*_101
- gromacs =2023.3=nompi_*_103
- intermol
- pip:
- git+https://github.com/openforcefield/openff-toolkit.git@main
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