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- Flying_ice_cube abstract "In molecular dynamics (MD) simulations, the flying ice cube effect is a numerical integration artifact in which the energy of high-frequency fundamental modes is drained into low-frequency modes, particularly into zero-frequency motions such as overall translation and rotation of the system. The artifact derives its name from a particularly noticeable manifestation that arises in simulations of particles in vacuum, where the system being simulated acquires high linear momentum and experiences extremely damped internal motions, freezing the system into a single conformation reminiscent of an ice cube or other rigid body flying through space. The artifact is entirely a consequence of molecular dynamics algorithms and is wholly unphysical, since it violates the principle of equipartition of energy. This is one of several unphysical artifacts that can be observed in molecular dynamics simulations, often arising from the need to balance numerical accuracy with computational efficiency sufficient to achieve adequate sampling of dynamics. The artifact can also occur in generalizations of classical MD simulations, as with Drude oscillators.".
- Flying_ice_cube wikiPageID "9585625".
- Flying_ice_cube wikiPageLength "6608".
- Flying_ice_cube wikiPageOutDegree "32".
- Flying_ice_cube wikiPageRevisionID "665378375".
- Flying_ice_cube wikiPageWikiLink Algorithm.
- Flying_ice_cube wikiPageWikiLink Andersen_thermostat.
- Flying_ice_cube wikiPageWikiLink Berendsen_barostat.
- Flying_ice_cube wikiPageWikiLink Berendsen_thermostat.
- Flying_ice_cube wikiPageWikiLink Category:Molecular_dynamics.
- Flying_ice_cube wikiPageWikiLink Center_of_mass.
- Flying_ice_cube wikiPageWikiLink Conservation_of_energy.
- Flying_ice_cube wikiPageWikiLink Drude_oscillator.
- Flying_ice_cube wikiPageWikiLink Drude_particle.
- Flying_ice_cube wikiPageWikiLink Equipartition_theorem.
- Flying_ice_cube wikiPageWikiLink Frequency.
- Flying_ice_cube wikiPageWikiLink Friction.
- Flying_ice_cube wikiPageWikiLink Fundamental_mode.
- Flying_ice_cube wikiPageWikiLink Ice_cube.
- Flying_ice_cube wikiPageWikiLink Intrinsically_disordered_protein.
- Flying_ice_cube wikiPageWikiLink Intrinsically_disordered_proteins.
- Flying_ice_cube wikiPageWikiLink Langevin_dynamics.
- Flying_ice_cube wikiPageWikiLink Lipid_bilayer.
- Flying_ice_cube wikiPageWikiLink Membrane_protein.
- Flying_ice_cube wikiPageWikiLink Molecular_dynamics.
- Flying_ice_cube wikiPageWikiLink Momentum.
- Flying_ice_cube wikiPageWikiLink Normal_mode.
- Flying_ice_cube wikiPageWikiLink Numerical_integration.
- Flying_ice_cube wikiPageWikiLink Periodic_boundary_conditions.
- Flying_ice_cube wikiPageWikiLink Rigid_body.
- Flying_ice_cube wikiPageWikiLink Rotation.
- Flying_ice_cube wikiPageWikiLink Temperature.
- Flying_ice_cube wikiPageWikiLink Thermostat.
- Flying_ice_cube wikiPageWikiLink Translation_(geometry).
- Flying_ice_cube wikiPageWikiLink Translation_(physics).
- Flying_ice_cube wikiPageWikiLink Vacuum.
- Flying_ice_cube wikiPageWikiLink Velocity.
- Flying_ice_cube wikiPageWikiLink Water_model.
- Flying_ice_cube wikiPageWikiLinkText "flying ice cube".
- Flying_ice_cube hasPhotoCollection Flying_ice_cube.
- Flying_ice_cube wikiPageUsesTemplate Template:Reflist.
- Flying_ice_cube subject Category:Molecular_dynamics.
- Flying_ice_cube hypernym Artifact.
- Flying_ice_cube type Article.
- Flying_ice_cube type Work.
- Flying_ice_cube type Article.
- Flying_ice_cube type Dynamic.
- Flying_ice_cube type Physic.
- Flying_ice_cube comment "In molecular dynamics (MD) simulations, the flying ice cube effect is a numerical integration artifact in which the energy of high-frequency fundamental modes is drained into low-frequency modes, particularly into zero-frequency motions such as overall translation and rotation of the system.".
- Flying_ice_cube label "Flying ice cube".
- Flying_ice_cube sameAs m.02pky7x.
- Flying_ice_cube sameAs Q5463582.
- Flying_ice_cube sameAs Q5463582.
- Flying_ice_cube wasDerivedFrom Flying_ice_cube?oldid=665378375.
- Flying_ice_cube isPrimaryTopicOf Flying_ice_cube.