STM:Collective variables: Difference between revisions
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| [[Control key types|string]] | | [[Control key types|string]] | ||
| The name of collective variable from the list of general collective variables. For details, see: [[Collective | | The name of collective variable from the list of general collective variables. For details, see: [[ Collective Variables]]. The CV cannot be a member of [[managed path]]. | ||
|- style="vertical-align: top;" | |- style="vertical-align: top;" | ||
| '''force_constant''' | | '''force_constant''' | ||
Latest revision as of 14:58, 19 April 2016
Navigation: Documentation / Methods / String Method / STM:Collective variables
Each collective variable used in the string method simulation is provided in a separate section [CV]. All these sections are included either in the special group if the collective variables are provided in the main control file or in the {MAIN} group of separate file. The name of the group or the file name is controlled be the fstmdef option provided in the [file] section.
[CV]
| Key | Default value | Type | Description |
| name | string | The name of collective variable from the list of general collective variables. For details, see: Collective Variables. The CV cannot be a member of managed path. | |
| force_constant | real | The force constant that will be used to fix the collective variable. |
Keys in bold are mandatory.
NOTE: Collective variables must be provided in the same order in which they are defined on the string server!