@@ -1217,15 +1217,13 @@ \subsection{Tutorial 2: Pulling on a carbon nanotube}
12171217
12181218In this tutorial, the system of interest is a small, single-walled
12191219carbon nanotube (CNT) in an empty box (Fig.~\ref {fig:CNT }). The CNT is
1220- strained by fixing atoms at one end and moving atoms at the
1221- other end with constant velocity. To illustrate the difference between
1222- conventional and reactive force fields, this % SG: I am not sure why typelabel_paper was cited here. Am I wrong to remove it?
1220+ strained by imposing a constant velocity on the edge atoms.
1221+ To illustrate the difference between conventional and reactive force fields, this
12231222tutorial is divided into two parts: in the first part, a conventional molecular force
12241223field (called OPLS-AA~\cite {jorgensenDevelopmentTestingOPLS1996 }) is
12251224used and the bonds between the atoms of the CNT are unbreakable. In the
12261225second part, a reactive force field (called AIREBO
1227- \cite {stuart2000reactive }) is used, allowing for the breaking of
1228- chemical bonds when the CNT experiences large strain.
1226+ \cite {stuart2000reactive }) is used, which allows chemical bonds to break under large strain.
12291227
12301228To set up this tutorial, select \guicmd {Start Tutorial 2} from the
12311229\guicmd {Tutorials} menu of LAMMPS--GUI and follow the instructions. This will
@@ -1463,7 +1461,7 @@ \subsubsection{Unbreakable bonds}
14631461
14641462\begin {note }
14651463 The \lmpcmdnote {velocity set}
1466- commands impose the velocity of a group of atoms at the start of a run but do
1464+ command imposes the velocity of a group of atoms at the start of a run but does
14671465 not enforce the velocity during the entire simulation. When \lmpcmdnote {velocity set}
14681466 is used in combination with \lmpcmdnote {setforce 0 0 0}, as is the case here, the
14691467 atoms won't feel any force during the entire simulation. According to the Newton
@@ -1744,7 +1742,7 @@ \subsection{Tutorial 3: Polymer in water}
17441742for the PEG, the SPC/Fw model~\cite {wu2006flexible } is used for the water, and the
17451743long-range Coulomb interactions are solved using the PPPM solver~\cite {luty1996calculating }.
17461744This tutorial was inspired by a publication by Liese and coworkers, in which molecular
1747- dynamics simulations are compared with force spectroscopy experiments~ \cite {liese2017hydration }.
1745+ dynamics simulations are compared with force spectroscopy experiments, see Ref. \, ~ \citenum {liese2017hydration}.
17481746
17491747\subsubsection {Preparing the water reservoir }
17501748
@@ -1906,9 +1904,9 @@ \subsubsection{Preparing the water reservoir}
19061904\begin {figure }
19071905\centering
19081906\includegraphics [width=\linewidth ]{PEG-density}
1909- \caption {a) Temperature of the water reservoir from
1910- \hyperref [all-atom-label]{Tutorial 3} with time $ t$ . The horizontal dashed line is
1911- the target temperature of 300\, K. b) Evolution of the density $ \rho $ .}
1907+ \caption {a) Temperature ( $ T $ ) of the water reservoir from
1908+ \hyperref [all-atom-label]{Tutorial 3} as a function of the ( $ t$ ) . The horizontal dashed line is
1909+ the target temperature of 300\, K. b) Evolution of the system density ( $ \rho $ ) with $ t $ .}
19121910\label {fig:PEG-density }
19131911\end {figure }
19141912
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