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lammps-tutorials.tex
@@ -2725,7 +2725,8 @@ \subsubsection{System preparation}
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box and new atoms, we open the previously created \flecmd{create.data} file.
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Now, let us use the SHAKE algorithm to maintain the shape of the
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-water molecules~\cite{ryckaert1977numerical, andersen1983rattle}.
+water molecules~\cite{ryckaert1977numerical, andersen1983rattle}
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+{\color{blue} by adding the following line to the script}.
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\begin{lstlisting}
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fix myshk H2O shake 1.0e-5 200 0 b O-H a H-O-H kbond 2000
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\end{lstlisting}
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