Shortcut: GPATH
| Module | mapping |
|---|---|
| Description | Usage |
| Distance along and from a path calculated using geometric formulas |   |
Output components
This action calculates the values in the following table. These values can be referenced elsewhere in the input by using this Action’s label followed by a dot and the name of the value required from the list below.
| Name | Type | Description |
|---|---|---|
| s | scalar | the position on the path |
| z | scalar | the distance from the path |
Input
The arguments 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 | scalar | the list of arguments you would like to use in your definition of the path |
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 | the list of arguments you would like to use in your definition of the path |
| REFERENCE | compulsory | none | a pdb file containing the set of reference configurations |
| TYPE | compulsory | OPTIMAL-FAST | the manner in which distances are calculated |
| COEFFICIENTS | optional | not used | the coefficients of the displacements along each argument that should be used when calculating the euclidean distance |
| NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |
| NOSPATH | optional | false | do not calculate the spath CV |
| NOZPATH | optional | false | do not calculate the zpath CV |
| GPATH | optional | false | calculate the trigonometric path |
| PROPERTY | optional | not used | read in path coordinates by finding option with this label in remark of pdb frames |