add units to wham command line

Author: akohlmey

lammps-tutorials.tex

@@ -4026,13 +4026,15 @@ \subsubsection{Method 2: Umbrella sampling}
 
 \paragraph{WHAM algorithm}
 
-To generate the free energy profile from the particle positions
-saved in the \flecmd{umbrella-sampling.i.dat} files,
-we use the WHAM~\cite{kumar1992weighted,kumar1995multidim} algorithm as implemented by Marc Grossfield~\cite{grossfieldimplementation}.
-You can download it from \href{http://membrane.urmc.rochester.edu/?page_id=126}{Alan Grossfield}'s
-website.  The executable called \flecmd{wham} generated by following the instructions
-from the website must be placed next to \flecmd{umbrella-sampling.lmp}.  To apply
-the WHAM algorithm to our simulation, we need a metadata file containing:
+To generate the free energy profile from the particle positions saved in
+the \flecmd{umbrella-sampling.i.dat} files, we use the
+WHAM~\cite{kumar1992weighted,kumar1995multidim} algorithm as implemented
+by Marc Grossfield~\cite{grossfieldimplementation}.  You can download it
+from \href{http://membrane.urmc.rochester.edu/?page_id=126}{Alan
+  Grossfield}'s website.  The executable called \flecmd{wham} generated
+by following the instructions from the website must be placed next to
+\flecmd{umbrella-sampling.lmp}.  To apply the WHAM algorithm to our
+simulation, we need a metadata file containing:
 \begin{itemize}
 \item the paths to all the data files,
 \item the values of $x_\text{des}$,
@@ -4042,7 +4044,7 @@ \subsubsection{Method 2: Umbrella sampling}
 and save it next to \flecmd{umbrella-sampling.lmp}.  Then, run the WHAM algorithm
 by typing the following command in the terminal:
 \begin{lstlisting}
-./wham -30 30 50 1e-8 119.8 0 \
+./wham units real -30 30 50 1e-8 119.8 0 \
     umbrella-sampling.meta umbrella-sampling.dat
 \end{lstlisting}
 where -30 and 30 are the boundaries, 50 is the number of bins, 1e-8 is the tolerance,