Action: PROJECTION_ON_AXIS
| Module | colvar |
|---|---|
| Description | Usage |
| Calculate a position based on the projection along and extension from a defined axis. |   |
| output value | type |
| the value of the projection along the axis | scalar |
Output components
This action can calculate the values in the following table when the associated keyword is included in the input for the action. These values can be referenced elsewhere in the input by using this Action’s label followed by a dot and the name of the value required from the list below.
| Name | Type | Keyword | Description |
|---|---|---|---|
| proj | scalar | COMPONENTS | The value of the projection along the axis |
| ext | scalar | COMPONENTS | The value of the extension from the axis |
Input
The atoms that serve as the input for this action are specified using one or more of the keywords in the following table.
| Keyword | Type | Description |
|---|---|---|
| AXIS_ATOMS | atoms | The atoms that define the direction of the axis of interest |
| ATOM | atoms | The atom whose position we want to project on the axis of interest |
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 |
|---|---|---|---|
| AXIS_ATOMS | input | none | The atoms that define the direction of the axis of interest |
| ATOM | input | none | The atom whose position we want to project on the axis of interest |
| NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |
| NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |