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In my most recent test, failures occurred intest_mbar_block and test_ti_block, as AssertionError. Do you think they are related to this possible issue?
No, this issue is about analyzing only pieces of the total simulation data (for example, say you want to analyze the first half and second half of a trajectory separately). The issue you faced, as I think we discovered, was due to the random number seed being reset when running multiple free energy methods at once.
It did not seem like
mbar-block
was correctly analyzing fractions of the data. Revisit on simple system.The text was updated successfully, but these errors were encountered: