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Multidimensional histograms

The histogram feature is used to record the distribution of a set of collective variables in the form of a N-dimensional histogram. It functions as a ``collective variable bias'', and is invoked by adding a histogram block to the colvars configuration file.

In addition to the common parameters name and colvars described above, a histogram block may define the following parameter:

Like the ABF and metadynamics biases, histogram uses parameters from the colvars to define its grid. The grid ranges from lowerBoundary to upperBoundary, and the bin width is set by the width parameter.



vmd@ks.uiuc.edu