Next: Colvars scripting
Up: Biasing and analysis methods
Previous: Probability distribution-restraints
Rather than using the biasing methods described above, it is possible to apply biases
provided at run time as a Tcl script.
This option, also available in NAMD, can be useful to test a new algorithm to be used in a MD simulation.
Enable custom, scripted forces on colvars
Acceptable values: boolean
Default value: off
Description: If this flag is enabled, a Tcl procedure named calc_colvar_forces
accepting one parameter should be defined by the user. It is executed
at each timestep, with the current step number as parameter, between the
calculation of colvars and the application of bias forces. This procedure
may use the cv command to access
the values of colvars and apply forces on them, effectively defining custom
collective variable biases.