Jennifer A Clark
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issues of
Jennifer A Clark
## Is your feature request related to a problem? ## modernize HBA (HydrogenBondAnalysis) to use AG (AtomGroups) as objects internally instead of selection strings to avoid the need for HBA...
Component-Analysis
refactoring
GSOC Starter
Add enthalpy and entropy outputs for MBAR and BAR (via 2-state MBAR).
enhancement
estimators