The histogramRestraint bias implements a continuous potential of many variables (or of a single high-dimensional variable) aimed at reproducing a one-dimensional statistical distribution that is provided by the user. The variables are interpreted as multiple observations of a random variable with unknown probability distribution. The potential is minimized when the histogram , estimated as a sum of Gaussian functions centered at , is equal to the reference histogram :
This bias behaves similarly to the histogram bias with the gatherVectorColvars option, with the important difference that all variables are gathered, resulting in a one-dimensional histogram. Future versions will include support for multi-dimensional histograms.
The list of options is as follows: