Module: mapping

Description Usage
Description of module used in 6 tutorialsused in 6 eggs

Actions

The following actions are part of this module

Name Description
ADAPTIVE_PATH Compute path collective variables that adapt to the lowest free energy path connecting states A and B.
AVERAGE_PATH_DISPLACEMENT Accumulate the distances between the reference frames in the paths and the configurations visited
GEOMETRIC_PATH Distance along and from a path calculated using geometric formulas
GPATH Distance along and from a path calculated using geometric formulas
GPROPERTYMAP Property maps but with a more flexible framework for the distance metric being used.
PATH Path collective variables with a more flexible framework for the distance metric being used.
PCAVARS Projection on principal component eigenvectors or other high dimensional linear subspace
REPARAMETERIZE_PATH Take an input path with frames that are not equally spaced and make the frames equally spaced