Shortcut: ALPHABETA
| Module | multicolvar |
|---|---|
| Description | Usage |
| Measures a distance including pbc between the instantaneous values of a set of torsional angles and set of reference values. | |
| output value | type |
| the alpha beta CV | 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 atoms involved for each of the torsions you wish to calculate |
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 atoms involved for each of the torsions you wish to calculate |
| NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |
| REFERENCE | optional | not used | the reference values for each of the torsional angles |
| COEFFICIENT | optional | not used | the coefficient for each of the torsional angles |