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get_entropy() and get_enthalpy() does not work with pymbar4 #757

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schuhmc opened this issue Oct 28, 2024 · 0 comments · May be fixed by #758

schuhmc commented Oct 28, 2024 •

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The method name and the default output of compute_entropy_and_enthalpy() have changed between pymbar3 and pymbar4.

Running either get_entropy() or get_enthalpy() will return a AttributeError when used with pymbar4.

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add entropy/enthalpy support for pymbar4 #758

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