RestraintPotential (Node)
Apply simple restraint potentials to individual atoms
| Context | Generation |
| Name Required? | No |
| Branches | – |
Overview
The RestraintPotential node allows atomic restraint potentials to be applied to one or more types of species in the configuration, and/or those in a previously-picked selection. Each atom of every target molecule has assigned to it a targeted potential of the specified form/parameters with origin at its current coordinates.
Options
Definition
| Keyword | Arguments | Default | Description |
|---|---|---|---|
Potential |
Potential |
– | Functional form and associated parameters for the potential. |
Target
| Keyword | Arguments | Default | Description |
|---|---|---|---|
Selection |
name |
– | Restrain the atoms of all molecules selected by the specified picking node. |
Species |
name |
– | Restrain the atoms of all molecules of the given species type(s). |
Last modified July 11, 2023: 1495 Update Docs 1.3 (#1517) (85355211f)