STM:Controls
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The behavior of the string method is configured in the [stm] section, which is part of 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 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. | |
fserver | string | Address of the string method server in the format: `stm://server_name[:port]`. The `server_name` is the DNS name of the server, and `port` is the port number it listens on. This option is ignored if `fserverkey` is provided. | |
fpassword | string | Password for connecting to the string method server. Ignored if the `fserverkey` option is provided. | |
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 | 2 | integer | Type of tensor used in the method: 0 – unit tensor 1 – defined as in *J. Chem. Phys.* 125, 024106 (2006) 2 – as above, but includes mass weighting |