Action: GHOST
| Module | vatom |
|---|---|
| Description | Usage |
| Calculate the absolute position of a ghost atom with fixed coordinates in the local reference frame formed by three atoms. | |
| This action outputs data to a file. You can read more about how PLUMED manages output files here |
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 |
|---|---|---|
| ATOMS | atoms | the list of atoms which are involved the virtual atom’s definition |
| COORDINATES | atoms | coordinates of the ghost atom in the local reference frame |
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 |
|---|---|---|---|
| ATOMS | input | none | the list of atoms which are involved the virtual atom’s definition |
| COORDINATES | input | none | coordinates of the ghost atom in the local reference frame |
| NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |