Description |
Usage |
Description of module |
  |
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 |