Action: DUMPMASSCHARGE
| Module | generic |
|---|---|
| Description | Usage |
| Dump masses and charges on a selected file. | |
| 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 atom indices whose charges and masses you would like to print out |
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 atom indices whose charges and masses you would like to print out |
| STRIDE | compulsory | 1 | the frequency with which the atoms should be output |
| FILE | compulsory | none | file on which to output charges and masses |
| ONLY_MASSES | optional | false | Only output masses to file |
| ONLY_CHARGES | optional | false | Only output charges to file |