Action: DIHEDRAL_CORRELATION
Module | colvar |
---|---|
Description | Usage |
Measure the correlation between a pair of dihedral angles | |
output value | type |
the DIHEDRAL_CORRELATION for these atoms | scalar/vector |
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 set of 8 atoms that are being used to calculate this quantity |
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 set of 8 atoms that are being used to calculate this quantity |
NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |
NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |