STM:Controls

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The behaviour of the string method is controlled by the setup provided in the [stm] section. This section belongs to the {PMFLIB} group.

[stm]

Key	Default value	Type	Description
fmode	0	integer	The mode of the string method: 0 - the method is disabled 1 - the string method is enabled If the method is enabled then at least one collective variable should be provided in the {STM} group. The collective variable specification is described in STM:Collective variables.
fserverkey		string	The name of file with a server key. The server key contains information about the string method server name, the port number and the server password. The file is generated by the stm-server utility, when the string method server is started. This option is mutually exclusive with the fserver and fpassword options.
fserver		string	The access to the string method server in the format: stm://server_name[:port]. The server_name is the DNS name of the server and the port is the number of port on which the server is listenning. This option is mutually exclusive with the fserverkey key, which has precedence. It means that both fserver and fpassword options are not processed if the fserverkey is provided.
fpassword		string	The password to access the string method server. This option is mutually exclusive with the fserverkey key, which has precedence. It means that both fserver and fpassword options are not processed if the fserverkey is provided.
fbeadidfile	beadid	string	Name of file that contains bead ID (as a single integer in the first record).
fsample	500	integer	Every fsample MD steps, the actual information about collective variable values will be printed to the string method output file. The name of the output file is provided in the [files] section.
ftensor	2	integer	Type of tensor used in the method. 0 - unity, 1 - as defined in J. Chem. Phys. 125, 024106, 2006, 2 - as 1 but including masses