yank - Revision 1182: /proof-of-concept/alchemical-repex-volume

• ..
• alchemical-repex-volume-debug.py
• alchemical-repex-volume.py
• analyze-volume.py
• benzene.frcmod
• benzene.gaff.mol2
• benzene.mol2
• cache-test.py
• compare_volumes.m
• compare_volumes_automatic.m
• detect_equilibration.m
• exportfig.m
• mvapich2.pbs
• openmpi.pbs
• pressure-bus-error-2.py
• pressure-bus-error.py
• pressure-bus-error.tgz
• repex.py
• setup.leap.in
• statistical_inefficiency.m
• system.crd
• system.pdb
• system.prmtop
• test_equilibration_detection.m
• test_equilibration_detection_multiple.m
• thermodynamics.py