Merge pull request #60 from lammpstutorials/more-formatting-revisions

More formatting and LAMMPS-GUI revisions

Author: simongravelle

files/tutorial1/solution/improved.md.lmp

@@ -22,7 +22,7 @@ group grp_t1_in intersect grp_t1 grp_in
 group grp_t2_out intersect grp_t2 grp_out
 delete_atoms group grp_t1_in
 delete_atoms group grp_t2_out
-# delete unnecessary groups
+# delete no longer needed groups
 group grp_in delete
 group grp_out delete
 group grp_t1_in delete

files/tutorial1/solution/initial.lmp

@@ -9,6 +9,7 @@ units lj
 dimension 3
 atom_style atomic
 boundary p p p
+# 2) System definition
 
 # 2) System definition
 region simbox block -20 20 -20 20 -20 20

journal-article.bib

@@ -613,6 +613,18 @@ @article{kumar1992weighted
   publisher={Wiley Online Library}
 }
 
+@article{kumar1995multidim,
+  title =        {Multidimensional free-energy calculations using the
+                  weighted histogram analysis method},
+  author =       {Kumar, Shankar and Rosenberg, John M. and Bouzida,
+                  Djamal and Swendsen, Robert H. and Kollman, Peter A.},
+  journal =      {Journal of Computational Chemistry},
+  volume =       {16},
+  number =       {11},
+  pages =        {1339-1350},
+  doi =          {https://doi.org/10.1002/jcc.540161104},
+}
+
 @article{oostenbrink2004biomolecular,
   title={A biomolecular force field based on the free enthalpy of hydration and solvation: the {{GROMOS}} force-field parameter sets {{53A5}} and {{53A6}}},
   author={Oostenbrink, Chris and Villa, Alessandra and Mark, Alan E and van Gunsteren, Wilfred F},