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 |