@@ -1819,8 +1819,8 @@ \subsubsection{Preparing the water reservoir}
18191819kspace_style ewald 1e-5
18201820special_bonds lj 0.0 0.0 0.5 coul 0.0 0.0 1.0 angle yes
18211821\end {lstlisting }
1822- With the unit style \lmpcmd {real}, masses are in g/mole , distances in Å,
1823- time in fs, and energies in kcal/mole . With the \lmpcmd {atom\_ style
1822+ With the unit style \lmpcmd {real}, masses are in g/mol , distances in Å,
1823+ time in fs, and energies in kcal/mol . With the \lmpcmd {atom\_ style
18241824 full}, each atom is a dot with a mass and a charge that can be linked
18251825by bonds, angles, dihedrals, and/or impropers. The
18261826\lmpcmd {bond\_ style}, \lmpcmd {angle\_ style}, and
@@ -2403,7 +2403,7 @@ \subsubsection{System preparation}
24032403mass Cl- 35.453
24042404mass WALL 26.9815
24052405\end {lstlisting }
2406- Each \lmpcmd {mass} command assigns a mass in grams/mole to an atom type.
2406+ Each \lmpcmd {mass} command assigns a mass in g/mol to an atom type.
24072407The \flecmd {parameters.inc} file also contains the pair coefficients:
24082408\ begin{lstlisting}
24092409pair_coeff O O 0.185199 3.1589
@@ -2414,7 +2414,7 @@ \subsubsection{System preparation}
24142414pair_coeff O WALL 0.4 2.86645
24152415\end {lstlisting }
24162416Each \lmpcmd {pair\_ coeff} assigns the depth of the LJ potential (in
2417- kcal/mole ), and the distance (in Ångströms) at which the
2417+ kcal/mol ), and the distance (in Ångströms) at which the
24182418particle-particle potential energy is 0. As noted in previous
24192419tutorials, with the important exception of \lmpcmd {pair\_ coeff O WALL},
24202420pairwise interactions were only assigned between atoms of identical
@@ -4038,7 +4038,7 @@ \subsubsection{Method 2: Umbrella sampling}
40384038To generate the free energy profile from the particle positions saved in
40394039the \flecmd {umbrella-sampling.i.dat} files, we use the
40404040WHAM~\cite {kumar1992weighted ,kumar1995multidim } algorithm as implemented
4041- by Marc Grossfield~\cite {grossfieldimplementation }. You can download it
4041+ by Alan Grossfield~\cite {grossfieldimplementation }. You can download it
40424042from \href {http://membrane.urmc.rochester.edu/?page_id=126}{Alan
40434043 Grossfield}'s website. Make sure you download the WHAM code version
404440442.1.0 or later which introduces the \lmpcmd {units} command-line option
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