A plain-text file (.dynn), following the input file format, that is used to specify a selection, such as the QM atoms or NOFIX atoms.
A selection is specified in a delimited block, beginning with the keyword SELECTION and the name of the selection (QM or NOFIX). It must be ended with another SELECTION.
Inside, the available hierarchical options are: subsystem, residue number and atom name.
The are selected with the corresponding option and followed by its argument.
If a high-level stratum of the hierarchy is selected but not inferior levels are specified, the whole is taken.
| OPTION NAME | TYPE | DESCRIPTION |
|---|---|---|
| S | char | Subsystem name (chain) |
| R | int | Residue number |
| A | char | Atom name |
The same options as in the input file can be specified as defaults for the system (i.e. CHARGE, MULTI). But must be keep in mind that this selection file is the last to be read and therefore will always overwrite the proper input file or command line arguments.