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paper/basic_training.tex

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@@ -533,7 +533,7 @@ \subsection{Periodic boundary conditions}
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(However, as noted in Section~\ref{sec:classical_electrostatics} these cut-offs are not normally applied to electrostatic interactions because truncating these interactions induces worse artifacts than does including interactions with multiple copies of the same particle.
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Instead, what are often termed ``cut-offs'' that are applied to electrostatics are instead a shift from short-range to long-range treatments.)
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Such cut-offs impose a natural lower limit to the size of a periodic simulation box, as the box must be large enough to capture all of the most significant non-bonded interactions.
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Further information on periodic boundary conditions and discussion of appropriate cut-offs may be found in \citet{LeachBook}, sections 6.5 and 6.7 and \citet{ShellNotes}, lecture on Simulations of bulk phases.
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Further information on periodic boundary conditions and discussion of appropriate cut-offs may be found in \citet{LeachBook}, sections 6.5 and 6.7 and \citet{ShellNotes}'s lecture on Simulations of Bulk Phases.
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%DLM: I have permission to migrate Shell's notes to GitHub, specifically to https://github.com/kofkeLab/Mol-Sim-Intro, so I should go ahead and prioritizing these particular notes there and then cite here.
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It is very important to note that periodic boundary conditions are simply an approximation to bulk behavior.

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