Action: DUMPPDB
| Module | generic |
|---|---|
| Description | Usage |
| Output PDB file. |   |
| This action outputs data to a file. You can read more about how PLUMED manages output files here |
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 | vector/matrix | the values that are being output in the PDB file |
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 values that are being output in the PDB file |
| STRIDE | compulsory | 0 | the frequency with which the atoms should be output |
| FILE | compulsory | none | the name of the file on which to output these quantities |
| FMT | compulsory | %f | the format that should be used to output real numbers |
| OCCUPANCY | compulsory | 1.0 | vector of values to output in the occupancy column of the pdb file |
| BETA | compulsory | 1.0 | vector of values to output in the beta column of the pdb file |
| ATOMS | optional | not used | value containing positions of atoms that should be output |
| DESCRIPTION | optional | not used | the title to use for your PDB output |
| ATOM_INDICES | optional | not used | the indices of the atoms in your PDB output |
| RESIDUE_INDICES | optional | not used | the indices of the residues in your PDB output |
| ARG_NAMES | optional | not used | the names of the arguments that are being output |