Action: AVERAGE_PATH_DISPLACEMENT
| Module | mapping |
|---|---|
| Description | Usage |
| Accumulate the distances between the reference frames in the paths and the configurations visited |   |
| output value | type |
| matrix containing the average displacement between the trajectory and each of the landmarks that makes up the path | matrix |
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 | matrix | the labels of the matrix that contains the vectors of displacements from each frame in the path |
| REFERENCE | vector | labels for actions that contain reference coordinates for each point on 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 labels of the matrix that contains the vectors of displacements from each frame in the path |
| REFERENCE | input | none | labels for actions that contain reference coordinates for each point on the path |
| METRIC | compulsory | none | the method to use for computing the displacement vectors between the reference frames |
| METRIC_COMPONENT | compulsory | none | if the final action in your metric contains multiple components this keyword is used to specify the component that should be used |
| STRIDE | compulsory | 1 | the frequency with which the average displacements should be collected and added to the average displacements |
| HALFLIFE | compulsory | -1 | the number of MD steps after which a previously measured path distance weighs only 50 percent in the average |
| CLEAR | compulsory | 0 | the frequency with which to clear all the accumulated data |
| NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |