Shortcut: UPPER_WALLS
| Module | bias |
|---|---|
| Description | Usage |
| Defines a wall for the value of one or more collective 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 | 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 arguments on which the bias is acting |
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 arguments on which the bias is acting |
| AT | compulsory | none | the positions of the wall |
| KAPPA | compulsory | none | the force constant for the wall |
| OFFSET | compulsory | 0.0 | the offset for the start of the wall |
| EXP | compulsory | 2.0 | the powers for the walls |
| EPS | compulsory | 1.0 | the values for s_i in the expression for a wall |