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Add tests against free charmm #55

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Add tests against free charmm#55

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@jchodera
jchodera
opened on Dec 1, 2017

We should add energy tests against CHARMM itself using the dockerized free charmm in https://github.com/swails/OpenMMEnergyComparisons

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  1. epretti commented on Mar 27, 2025

    @epretti
    epretti
    on Mar 27, 2025
    Member

    This has been supported, but it should now happen automatically in CI: see #356 and #360.

  2. epretti
    closed this as completedon Mar 27, 2025
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