STM:Controls: Difference between revisions

Revision as of 09:54, 28 May 2025

The behavior of the string method is configured in the [stm] section, which is part of the {PMFLIB} group.

Key	Default value	Type	Description
fmode	0	integer	Defines the operation mode of the string method: 0 – method disabled 1 – method enabled If enabled, at least one collective variable must be specified in the {STM} group. See STM:Collective variables for details.
fserverkey		string	Path to a 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. This option is mutually exclusive with the `fserver` and `fpassword` options.
fbeadid	0	integer	STM bead ID. If zero, the bead ID is read from fbeadidfile.
fbeadidfile	"beadid"	string	Name of the file containing the bead ID. The file must include 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 is specified in the [files] section.
ftensor	1	integer	Type of tensor used in the method: 0 – unit tensor 1 – default as in J. Chem. Phys. 125, 024106 (2006)

@@ Line 27: / Line 27: @@
 |- style="vertical-align: top;
 | fbeadidfile
-| fbeadid
+| "beadid"
 | [[Control key types|string]]
 | Name of the file containing the bead ID. The file must include a single integer value on the first line.