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Merge branch 'master' of https://github.com/MobleyLab/basic_simulation_training into final_cleanup
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paper/basic_training.bib

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@@ -496,6 +496,40 @@ @article{Darden:1993:JChemPhys
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pages = {10089-10092},
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}
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@article{Essman:1995,
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author = {Essmann,Ulrich and Perera,Lalith and Berkowitz,Max L. and Darden,Tom and Lee,Hsing and Pedersen,Lee G. },
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title = {A smooth particle mesh Ewald method},
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journal = {The Journal of Chemical Physics},
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volume = {103},
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number = {19},
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pages = {8577-8593},
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year = {1995},
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doi = {10.1063/1.470117},
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URL = {
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https://doi.org/10.1063/1.470117
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},
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eprint = {
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https://doi.org/10.1063/1.470117
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}
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}
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@article{EASTWOOD1980215,
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title = "P3M3DP—The three-dimensional periodic particle-particle/ particle-mesh program",
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journal = "Computer Physics Communications",
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volume = "19",
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number = "2",
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pages = "215 - 261",
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year = "1980",
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issn = "0010-4655",
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doi = "https://doi.org/10.1016/0010-4655(80)90052-1",
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url = "http://www.sciencedirect.com/science/article/pii/0010465580900521",
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author = "J.W. Eastwood and R.W. Hockney and D.N. Lawrence"
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}
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@article{Sagui:1999:AnnuRevBiophysBiomolStruct,
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title = {{{MOLECULAR DYNAMICS SIMULATIONS OF BIOMOLECULES}}: {{Long}}-{{Range Electrostatic Effects}}},
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volume = {28},

paper/basic_training.pdf

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paper/basic_training.tex

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@@ -1102,7 +1102,7 @@ \subsubsection{Grid based Ewald summation}
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\item Transformation of the grid back to real space: An Inverse FFT is used to convert the reciprocal space potential back to the real space.
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\item Force calculation: The force is given by the gradient of the potential.
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PME, SPME and P3M use different methods for calculating the force given the resulting potential.
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PME~\cite{Darden:1993:JChemPhys}, SPME~\cite{Essman:1995} and P3M~\cite{EASTWOOD1980215} use different methods for calculating the force given the resulting potential.
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\end{enumerate}
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