Shortcut: MULTI_RMSD
| Module | colvar |
|---|---|
| Description | Usage |
| Calculate RMSD distances for different domains and combine them. |   |
| output value | type |
| the sum of the multiple RMSD distances | scalar |
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 |
|---|---|---|---|
| REFERENCE | compulsory | none | a file in pdb format containing the reference structure and the atoms involved in the CV |
| TYPE | compulsory | SIMPLE | the manner in which RMSD alignment is performed |
| SQUARED | optional | false | This should be set if you want the mean squared displacement instead of the root mean squared displacement |
| NOPBC | optional | false | don’t use periodic boundary conditions |