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Nov 30, 2008

pymbar-1.0d available - critical bugfix

By John Chodera

A new version of pyMBAR (1.0d) is available. This version contains a critical bugfix in the pseudoinverse calculation subroutine where the *transpose* of the pseudoinverse was returned instead of the pseudoinverse. This affected uncertainty estimates primarily in the case where the number of samples from each state was greatly dissimilar.

All users are encouraged to upgrade.