[WIP] Fix CI by upgrading to new GROMACS #351
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4 errors
test (ubuntu-latest, 3.9)
Process completed with exit code 1.
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test (ubuntu-latest, 3.8)
Process completed with exit code 1.
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test (macOS-latest, 3.8)
Process completed with exit code 1.
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test (macOS-latest, 3.9)
Process completed with exit code 1.
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