| This is part of the landmarks module |
| It is only available if you configure PLUMED with ./configure –enable-modules=landmarks . Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list. |
This allows you to convert a trajectory and a dissimilarity matrix into a dissimilarity object
- 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 |
data | the data that is being collected by this action |
logweights | the logarithms of the weights of the data points |
- Compulsory keywords
STRIDE | ( default=1 ) the frequency with which data should be stored for analysis. By default data is collected on every step |
CLEAR | ( default=0 ) the frequency with which data should all be deleted and restarted |
ALIGN | ( default=OPTIMAL ) if storing atoms how would you like the alignment to be done can be SIMPLE/OPTIMAL |
- Options
ARG | the arguments you would like to collect |
ATOMS | list of atomic positions that you would like to collect and store for later analysis |
LOGWEIGHTS | list of actions that calculates log weights that should be used to weight configurations when calculating averages |