Action: GROUP
| Module | core |
|---|---|
| Description | Usage |
| Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual 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 numerical indexes for the set of atoms in the group |
| REMOVE | atoms | remove these atoms from the list |
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 numerical indexes for the set of atoms in the group |
| REMOVE | input | none | remove these atoms from the list |
| SORT | optional | false | sort the resulting list |
| UNIQUE | optional | false | sort atoms and remove duplicated ones |
| NDX_FILE | optional | not used | the name of index file (gromacs syntax) |
| NDX_GROUP | optional | not used | the name of the group to be imported (gromacs syntax) - first group found is used by default |