@@ -849,15 +849,15 @@ \subsubsection{My first input}
849849 not exchange energy with anything outside the simulation box.
850850\end {note }
851851
852- Run the simulation using LAMMPS. Initially, there is no equilibrium
853- between potential and kinetic energy , as the potential energy
852+ Run the simulation using LAMMPS. Initially, { \color {blue} the system is
853+ not equilibrated} , as the potential energy
854854decreases while the kinetic energy increases. After approximately
85585540\, 000 steps, the values for both kinetic and potential energy
856856plateau, indicating that the system has reached equilibrium, with
857857the total energy fluctuating around a certain constant value.
858858
859- Now, we change the \ lmpcmd {Run} section to (note the smaller number of
860- MD steps):
859+ Now, we change the { \color {blue} second} \ lmpcmd {Run} section to
860+ (note the smaller number of MD steps):
861861\ begin{lstlisting}
862862# 5) Run
863863fix mynve all nve
@@ -1092,7 +1092,8 @@ \subsubsection{Improving the script}
10921092minimization. To start the simulation from a clean slate, with only
10931093atoms of type 2 inside the cylinder and atoms of type 1 outside the
10941094cylinder, let us delete the misplaced atoms by adding the following
1095- commands to \flecmd {improved.md.lmp}:
1095+ commands to {\color {blue}the \lmpcmd {System definition} section of
1096+ the} \flecmd {improved.md.lmp}:
10961097
10971098\ begin{lstlisting}
10981099region cyl_in cylinder z 0 0 10 INF INF side in
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