GPATH

	This is part of the mapping module
	It is only available if you configure PLUMED with ./configure –enable-modules=mapping . Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list.

Distance along and from a path calculated using geometric formulas

Examples

Glossary of keywords and components

Description of components

By default this Action calculates the following quantities. These quantities can be referenced elsewhere in the input by using this Action's label followed by a dot and the name of the quantity required from the list below.

Quantity	Description
s	the position on the path
z	the distance from the path

Compulsory keywords

REFERENCE	a pdb file containing the set of reference configurations
TYPE	( default=OPTIMAL-FAST ) the manner in which distances are calculated. More information on the different metrics that are available in PLUMED can be found in the section of the manual on Distances from reference configurations

Options

NOPBC	( default=off ) ignore the periodic boundary conditions when calculating distances
NOSPATH	( default=off ) do not calculate the spath CV
NOZPATH	( default=off ) do not calculate the zpath CV
GPATH	( default=off ) calculate the trigonometric path
ARG	the list of arguments you would like to use in your definition of the path
COEFFICIENTS	the coefficients of the displacements along each argument that should be used when calculating the euclidean distance
PROPERTY	read in path coordinates by finding option with this label in remark of pdb frames