STM:Client Controls

An STM client represents a single bead along the STM path. Its behaviour is configured in the [stm] section, which belongs to the {PMFLIB} group.

[stm]

Key	Default value	Type	Description
fmode	0	integer	Defines the operation mode of the string method: 0 – method disabled 1 – method enabled If the method is enabled, at least one collective variable must be specified in the {STM} group. See STM:Collective variables for details.
fserverkey		string	Path to the file containing the server key. The key stores the server name, port number, and password. It is generated by the `stm-server` utility when the server is launched.
fbeadid	0	integer	STM bead ID. If set to zero, the bead ID is read from the file specified by fbeadidfile.
fbeadidfile	"beadid"	string	Name of the file containing the bead ID. The file must contain a single integer value on the first line.
fsample	500	integer	Frequency, in MD steps, for writing the current values of the collective variables to the string method output file. The output file name, '_stm.out' by default, is specified in the [files] section.
ftensor	1	integer	Type of tensor used by the method: 0 – unit tensor 1 – default tensor as described in J. Chem. Phys. 125, 024106 (2006)
fsteadylen	20	integer	Length of the steady part of the initialisation and equilibration stages, expressed as a percentage.