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Copy file name to clipboardExpand all lines: paper/basic_training.tex
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@@ -694,6 +694,7 @@ \subsubsection{Production}
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Storing data especially frequently can be tempting, but utilizes a great deal of storage space and does not actually provide significant value in most situations.
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Particularly, observations made in MD simulations are correlated in time (e.g. see \url{https://github.com/dmzuckerman/Sampling-Uncertainty}) so storing data more frequently than the autocorrelation time results in storage of essentially redundant data.
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Thus, storing data more frequently than intervals of the autocorrelation time is generally unnecessary.
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Of course, the autocorrelation time is not known \emph{a priori} which can make it necessary to store \emph{some} redundant data.
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Disk space may also be a limiting factor that dictates the frequency of storing data, and should at least be considered.
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Trajectory snapshots can be particularly large.
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However, if there are no disk space limitations it may be best to avoid discarding uncorrelated data so sampling \emph{at} intervals of the autocorrelation time may be appropriate.
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