Shortcut: PATH

Module mapping
Description Usage
Path collective variables with a more flexible framework for the distance metric being used. used in 2 tutorialsused in 4 eggs

Output components

This action can calculate the values in the following table when the associated keyword is included in the input for the action. These values can be referenced elsewhere in the input by using this Action's label followed by a dot and the name of the value required from the list below.

Name Type Keyword Description
gspath scalar GPATH the position along the path calculated using the geometric formula
gzpath scalar GPATH the distance from the path calculated using the geometric formula
spath scalar default the position along the path calculated
zpath scalar default the distance from the path calculated

Input

The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.

Keyword Type Description
ARG scalar the list of arguments you would like to use in your definition of the path

Further details and examples

Text from manual goes here

Syntax

The following table describes the keywords and options that can be used with this action

Keyword Type Default Description
ARG input none the list of arguments you would like to use in your definition of the path
REFERENCE compulsory none a pdb file containing the set of reference configurations
TYPE compulsory OPTIMAL-FAST the manner in which distances are calculated
LAMBDA compulsory none the lambda parameter is needed for smoothing, is in the units of plumed
COEFFICIENTS optional not used the coefficients of the displacements along each argument that should be used when calculating the euclidean distance
NOPBC optional false ignore the periodic boundary conditions when calculating distances
NOSPATH optional false do not calculate the spath CV
NOZPATH optional false do not calculate the zpath CV
GPATH optional false calculate the trigonometric path
PROPERTY optional not used the property to be used in the index