ABF:Collective variables

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Each collective variable used in the ABF simulation is provided in a separate section [CV]. All these sections are included either in the special group if the collective variables are provided in the main control file or in the {MAIN} group of separate file. The name of the group or the file name is controlled be the fabfdef option provided in the [file] section.

[CV]

Key	Default value	Type	Description
name		string	The name of collective variable from the list of general collective variables. For details, see: Collective variables. The CV cannot be a member of managed path.
min_value		real	Minimal value used in the colective variable discretization.
max_value		real	Maximum value used in the colective variable discretization.
nbins		integer	Number of bins used to discretize the collective variable.
wfac	0	real	Width for the Gaussian kernel smoothing specified a multiplication factor to bin width.

Keys in bold are mandatory.