PDRV:Paths

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Each path used in the path driving method is provided in a separate section [PATH]. All these sections are included either in the special group if the paths 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 fpdrvdef option provided in the [file] section.

[PATH]

Key	Default value	Type	Description
name		string	The name of path from the list of general paths. For details, see: Paths. The selected path becomes a managed path.
attach_to		real	If this keyword is provided then all collective variables are driven during simulation to the point on the path specified by this option. User can provide value in the range <0;1> or by the character '@'. In the later case, the point will be chosen as the closest point on the path to all collective variable positions at the PMFLib startup.
initial_value		real	It determines initial point position on the path for driving along path. If it is not specified then the closest point on the path to all collective variable positions will be found at the PMFLib startup.
increment		real	The point on the path will be shifted during simulation by this value.
change_to		real	The point on the path will be shifted during simulation to this value.

Keys in bold are mandatory. Options attach_to, increment, and change_to are mutually exclusive.

NOTE: You must correctly setup either contrained dynamics or restrained dynamics (or both) for driving along the path!