ABF:Controls: Difference between revisions
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(Created page with "Navigation: Documentation / Methods / Adaptive Biasing Force Method / ABF:Controls ---- __NOEDITSECTION__ __NOTOC__ The behaviour of the ABF method is controll...") |
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__NOEDITSECTION__ __NOTOC__ | __NOEDITSECTION__ __NOTOC__ | ||
The | The behavior of the ABF method is controlled by the setup provided in the [abf] and eventually [abf-walker] sections. Both sections belong to the {PMFLIB} group. | ||
==[abf]== | ==[abf]== | ||
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The optional section [abf-walker] provides information about | The optional section [abf-walker] provides information about access to the MWA server. The MWA extension is described in detail in [[ABF:Multiple walkers approach]]. | ||
==[abf-walker]== | ==[abf-walker]== | ||
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| [[Control key types|string]] | | [[Control key types|string]] | ||
| The name of file with a server key. The server key contains information about the server name, the port number and the server password. The file is generated by the | | The name of a file with a server key. The server key contains information about the server name, the port number, and the server password. The file is generated by the mwa-server utility, when the MWA server is started. | ||
|- style="vertical-align: top;" | |- style="vertical-align: top;" | ||
| fserverupdate | | fserverupdate | ||
| | | 20000 | ||
| [[Control key types|integer]] | | [[Control key types|integer]] | ||
| The number of MD steps between exchanges of data with the MWA server. Since data are exchanged in a connect/send/receive/disconnect mode, exchanges should not occur too often in the real time. | | The number of MD steps between exchanges of data with the MWA server. Since data are exchanged in a connect/send/receive/disconnect mode, exchanges should not occur too often in the real time. | ||