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In Langevin dynamics ,
the temperature is maintained by
modifying the Newton's equations of motion:
where is the force acting on atom due to the interaction potential,
is a friction coefficient,
and is a random force with dispersion related to the
friction coefficient via:
with being the time-step used in MD to integrate equations
of motion. Obviously, Langevin dynamics is identical to classical Hamiltonian
in the limit of vanishing .
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