STM:Collective variables

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Each collective variable used in a string method simulation is specified in a separate [CV] section. These sections are placed either in a special group, {STM} by default, when the collective variables are defined in the main control file, or in the {MAIN} group of a separate file. The name of the group or the file is controlled by the fstmdef option in the [files] 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!