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Use barostat when generating water clusters #73

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merged 1 commit into from
Jul 7, 2023
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peastman
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@peastman peastman commented Jul 6, 2023

This should produce more realistic clusters.

@jchodera
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jchodera commented Jul 6, 2023

Thanks!

@peastman peastman merged commit 6a42a0e into openmm:main Jul 7, 2023
@peastman peastman deleted the water branch July 7, 2023 18:09
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2 participants