Update documentation for 3.0.0b3

examples/quick_start/config.toml

@@ -60,6 +60,13 @@ n_tasks = 2                         # number of tasks
 memory = 4048                       # memory per cpu [MB]
 runtime = "12:00:00"                # maximum runtime as HH:MM[:SS]
 
+# If you only want to analyze LAMMPS trajectories, you need to tell ChemTraYzer
+# which atom type of the force-field corresponds to which chemical element:
+[md.lammps.atom_type_mapping]
+1 = 1    # ReaxFF atom type 1 corresponds to hydrogen (atomic number 1)
+2 = 6    # atomic number 6 = carbon
+3 = 8    # atomic number 8 = oxygen
+
 [md.ams]
 executable = "ams"                  # path to the AMS executable
 # ...