Shortcut: RESTRAINT
| Module | bias |
|---|---|
| Description | Usage |
| Adds harmonic and/or linear restraints on one or more variables. |   |
Output components
This action calculates the values in the following table. These values can be referenced elsewhere in the input by using this Action's label followed by a dot and the name of the value required from the list below.
| Name | Type | Description |
|---|---|---|
| bias | scalar | the instantaneous value of the bias potential |
| force2 | scalar/vector | the instantaneous value of the squared force due to this bias potential |
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 | scalar/vector | the values the harmonic restraint acts upon |
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 the harmonic restraint acts upon |
| SLOPE | compulsory | 0.0 | specifies that the restraint is linear and what the values of the force constants on each of the variables are |
| KAPPA | compulsory | 0.0 | specifies that the restraint is harmonic and what the values of the force constants on each of the variables are |
| AT | compulsory | none | the position of the restraint |