@@ -58,8 +58,8 @@ prepare the following three files (or sets of files):
5858 *gmx pdb2gmx*, *gmx trjconv*, or *gmx solvate*. This will be done
5959 in the next tutorial, :ref:`protein_electrolyte-label`.
6060
61- 1) The configuration file (.gro)
62- --------------------------------
61+ 1) Populating the box
62+ ---------------------
6363
6464Let us create the simulation box by placing the ions
6565and molecules into it. To do so, we start from an
@@ -108,14 +108,28 @@ into it:
108108
109109This topology file for the SO\ :sub: `4`\ :sup: `2-` ion is written in the same
110110format as **empty.gro **. It contains 5 atoms named ``O1 ``, ``O2 ``, ``O3 ``, ``O4 ``,
111- and ``S1 ``, all grouped in a residue called ``SO4 ``.
111+ and ``S1 ``, all grouped in a residue called ``SO4 ``. Then, let us call the
112+ ``insert-molecules `` command by typing in the terminal:
112113
114+ .. code-block :: bw
115+
116+ gmx insert-molecules -ci so4.gro -f empty.gro -o conf.gro -nmol 6 -radius 0.5
113117
118+ Here, the ``insert-molecules `` command of GROMACS uses **empty.gro ** as an input (flag ``-f ``),
119+ and create a new **.gro ** file named **conf.gro ** with 6 residue (flag ``-nmol ``).
120+ The ``-radius 0.5 `` option is used to prevent ions for being inserted closer than
121+ :math: `0.5 ~\text {nm}` from each others. The output should indicate that the
122+ insertion were successful:
114123
115124.. code-block :: bw
116125
117- nb_so4=6
118- gmx insert-molecules -ci so4.gro -f empty.gro -o conf.gro -nmol ${nb_so4} -radius 0.5
126+ Added 6 molecules (out of 6 requested)
127+ Writing generated configuration to conf.gro
128+
129+
130+
131+
132+
119133
120134 .. code-block :: bw
121135
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