Version 2.0.6

This version has 2 significant changes:

  1. The user now has the ability to select either kJ or kcal as the energy unit. This is a compile-time choice, and involves a trivially editing a pair of header files (see the documentation for details).
  2. wham-2d now has a new feature, called "masking". Basically, it gives the user the ability to exclude regions of the PMF that for whatever reason do not have any data. This is useful when the reaction coordinate needs to be 2D, for instance because that's how the restraints are written, but the scientific question involves only a small part of the surface, such as a path between two states.

Note added 1/26/2012:  I've made 2 trivial changes without bumping the revision number: the Makefile for wham-2d was changed to avoid a build problem under Ubuntu, and wham-2d/histogram.c was edited to eliminate a warning (for a line of code that can't happen anyway).
Download here