Module: bias
| Description | Usage |
|---|---|
| Information about the module | |
| Authors: authors |   |
Details
Actions
The following actions are part of this module
| Name | Description |
|---|---|
| ABMD | Adds a ratchet-and-pawl like restraint on one or more variables. |
| BIASVALUE | Takes the value of one variable and use it as a bias |
| EXTENDED_LAGRANGIAN | Add extended Lagrangian. |
| EXTERNAL | Calculate a restraint that is defined on a grid that is read during start up |
| LOWER_WALLS | Defines a wall for the value of one or more collective variables, |
| MAXENT | Add a linear biasing potential on one or more variables that satisfies a maximum entropy principle. |
| METAD | Used to performed metadynamics on one or more collective variables. |
| MOVINGRESTRAINT | Add a time-dependent, harmonic restraint on one or more variables. |
| PBMETAD | Used to performed Parallel Bias metadynamics. |
| RESTRAINT | Adds harmonic and/or linear restraints on one or more variables. |
| REWEIGHT_BIAS | Calculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored |
| REWEIGHT_METAD | Calculate the weights configurations should contribute to the histogram in a simulation in which a metadynamics bias acts upon the system. |
| REWEIGHT_TEMP_PRESS | Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. |
| UPPER_WALLS | Defines a wall for the value of one or more collective variables, |