Action: FRET
| Module | isdb |
|---|---|
| Description | Usage |
| Calculates the FRET efficiency between a pair of atoms. |   |
| output value | type |
| the fret efficiency between the input pair of atoms | scalar |
Input
The atoms that serve as the input for this action are specified using one or more of the keywords in the following table.
| Keyword | Type | Description |
|---|---|---|
| ATOMS | atoms | the pair of atom that we are calculating the distance between |
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 |
|---|---|---|---|
| ATOMS | input | none | the pair of atom that we are calculating the distance between |
| R0 | compulsory | none | The value of the Forster radius |
| NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |
| NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |