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 April 23, 2024: Update release notes. (70ff745)