First published version

v1.0

Fix wrong page break in text

v0.0.1

Bug fixes:

Major:

• Step B's second lambda window wasn't generating IDWS data. BAR estimation failed on that window so the final estimate was off by about half a kcal/mol. StepB run.namd now generates IDWS data correctly.

Minor:

• Regenerated all sample data to ensure consistency between sample run scripts and sample data.
• Analyzed the new sample data to generate new sample figures.
• Replaced relevant figures in the tutorial text to match the new sample data.