| Description |
Usage |
| Description of module |
  |
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, |
