Jennifer A Clark

Results 22 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