ABF:Collective variables: Difference between revisions

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| Number of bins used to discretize the collective variable.
| Number of bins used to discretize the collective variable.
|- style="vertical-align: top; background-color: #f6f6f6;"
|- style="vertical-align: top; background-color: #f6f6f6;"
| maxforce
| wfac
| 0
| 0
| [[Control key types|real]]
| [[Control key types|real]]
| Maximum absolute value of allowed force to be used to bias the simulation. If the force overcomes this limit it is set to zero. This filter is not applied if the requested maxforce is zero.
| Width for the Gaussian kernel smoothing specified a multiplication factor to bin width.  
|- style="vertical-align: top;"
| switch
| 0
| [[Control key types|real]]
| Switching interval from the min and max values of the collective variable. In this interval, the biasing force is switched from its estimated value towards zero at the boundaries. This filter is not applied if the requested switch interval is zero.
|}
|}
''Keys in bold are mandatory.''
''Keys in bold are mandatory.''

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