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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -3977,12 +3977,15 @@ \subsection{Tutorial 8: Reactive Molecular Dynamics}
39773977\label {bond-react-label }
39783978
39793979The goal of this tutorial is to create a system made of
3980- carbon nanotubes embedded in a polymer melt made in nylon.
3980+ carbon nanotubes embedded in a polymer melt made in nylon-6,6. The
3981+ REACTER protocol is used to simulate the polymerization of nylon, and the formation
3982+ of water is followed in time.
39813983
39823984\subsubsection {Creating the system }
39833985
39843986The first step of the tutorial is to mix small carbon nanotubes
3985- with the polymer. Create a new input file, call it \textit {mixing.lmp },
3987+ with the initial, unreacted, polymer molecules: hexamethylenediamine and adipic
3988+ acid. Create a new input file, call it \textit {mixing.lmp },
39863989and copy the following lines into it:
39873990{\normalsize
39883991\begin {verbatim }
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