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%\todo[inline, color={yellow!20}]{DLM: I don't think necessary to introduce, but in favor of adding citations to useful work/additional resources.}
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\subsubsection{How to choose an appropriate timestep?}
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\todo[inline, color={yellow!20}]{DLM: Above should be broken into subsubsections for consistency with thermostats/barostats and because a subsection with only one subsubsection doesn't make sense.}
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%\todo[inline, color={yellow!20}]{DLM: Above should be broken into subsubsections for consistency with thermostats/barostats and because a subsection with only one subsubsection doesn't make sense.}
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The maximum timestep for a molecular dynamics simulation is dependent on the choice of integrator and the assumptions used in the integrator's derivation.
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For the commonly-used second order integrators such as the Verlet and Leapfrog algorithms, the velocities and accelerations should be approximately constant over the timestep.
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