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Sampling from flat energy or density distributions has proven useful inequilibrating complex systems with large energy barriers. Several thermostatsand barostats are presented to sample these flat distributions by moleculardynamics. These methods use a variable temperature or pressure that is updatedon the fly in the thermodynamic controller. These methods are illustrated on aLennard-Jones system and a structure-based model of proteins.

Multicanonical molecular dynamics by variable-temperature thermostats and variable-pressure barostats