Action: TORSIONS_MATRIX
| Module | adjmat |
|---|---|
| Description | Usage |
| Calculate the matrix of torsions between two vectors of molecules |   |
| output value | type |
| the matrix of torsions between the two vectors of input directors | matrix |
Input
The arguments and 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 |
|---|---|---|
| ARG | matrix | an Nx3 and a 3xN matrix that contain the bond vectors that you would like to determine the torsion angles between |
| POSITIONS1 | atoms | the positions to use for the molecules specified using the first argument |
| POSITIONS2 | atoms | the positions to use for the molecules specified using the second argument |
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 | an Nx3 and a 3xN matrix that contain the bond vectors that you would like to determine the torsion angles between |
| POSITIONS1 | input | none | the positions to use for the molecules specified using the first argument |
| POSITIONS2 | input | none | the positions to use for the molecules specified using the second argument |
| SERIAL | optional | false | do the calculation in serial |