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Updated Well-Tempered Metadynamics to OpenMM 8.1 #30

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merged 2 commits into from
Jan 31, 2024
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Avoids changing force groups back and forth in order to compute the bias energy. Instead, evaluates it as the derivative w.r.t. to an introduces bias scale.

@craabreu craabreu added the bug Something isn't working label Jan 31, 2024
@craabreu craabreu merged commit 1cfe1ce into main Jan 31, 2024
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@craabreu craabreu deleted the fix-well-tempered branch January 31, 2024 22:09
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