Action: EXTERNAL
| Module | bias |
|---|---|
| Description | Usage |
| Calculate a restraint that is defined on a grid that is read during start up |   |
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 | the labels of the scalars on which the bias will act |
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 labels of the scalars on which the bias will act |
| FILE | compulsory | none | the name of the file containing the external potential |
| SCALE | compulsory | 1.0 | a factor that multiplies the external potential, useful to invert free energies |
| NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |
| NOSPLINE | optional | false | specifies that no spline interpolation is to be used when calculating the energy and forces due to the external potential |
| SPARSE | optional | false | specifies that the external potential uses a sparse grid |