PLUMED allows you to run a number of enhanced sampling algorithms. The list of enhanced sampling algorithms contained in PLUMED is as follows:
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 |
EXTERNAL | Calculate a restraint that is defined on a grid that is read during start up |
LOWER_WALLS | The LOWER_WALLS and UPPER_WALLS keywords define a wall for the value of one or more collective variables, which limits the region of the phase space accessible during the simulation. |
METAD | Used to performed MetaDynamics on one or more collective variables. |
MOVINGRESTRAINT | Add a time-dependent, harmonic restraint on one or more variables. |
RESTRAINT | Adds harmonic and/or linear restraints on one or more variables. |
UPPER_WALLS | The LOWER_WALLS and UPPER_WALLS keywords define a wall for the value of one or more collective variables, which limits the region of the phase space accessible during the simulation. |
Methods, such as METAD, that work by introducing a history dependent bias can be restarted using the RESTART keyword
You can also use PLUMED in conjunction with VMD's interactive MD module by taking advantage of the IMD action.
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