Typical timestep Typical timestep –1 fs = 10 -15 s Typical desired length of simulation Typical desired length of simulation –at least 1 ns (10 -9 s) –biological systems ≈ 1  s – 1 s  course grained techniques Typical number of MD steps Typical number of MD steps –at least 10 6 Molecular dynamics simulations Initiation Initiation Calculation of forces Calculation of forces Propagation Propagation Measurement Measurement Finalization Finalization
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