| 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. |
Take an input path with frames that are not equally spaced and make the frames equally spaced
- Examples
- Glossary of keywords and components
- Compulsory keywords
METRIC | the method to use for computing the displacement vectors between the reference frames |
METRIC_COMPONENT | if the final action in your metric contains multiple components this keyword is used to specify the component that should be used |
REFERENCE | labels for actions that contain reference coordinates for each point on the path |
STRIDE | ( default=1 ) the frequency with which to reparameterize the path |
FIXED | ( default=0 ) the frames in the path to fix |
MAXCYLES | ( default=100 ) number of cycles of the algorithm to run |
TOL | ( default=1E-4 ) the tolerance to use for the path reparameterization algorithm |
- Options
DISPLACE_FRAMES | label of an action that tells us how to displace the frames. These displacements are applied before running the reparameterization algorith |