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- Non-backward compatible change to the metadata file format, which
affects people using multiple simulation temperatures. Calculations
using only one temperature can use the same metadata file format as
before. See section 4.1.2 for details.
- Major changes to the Monte Carlo bootstrap analysis, including the
ability to set a correlation time for each window.
In the process, fixed an off-by-1 bug
(thanks to Michael Shirts for pointing this out to me). See sections
4.1.2 and 5.2 for details.
- Improved documentation using simulations run at multiple
temperatures, e.g. replica exchange.
- Made some error messages more comprehensible.
Alan Grossfield
2007-11-13