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Update Tutorial-2.rst
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Fixed typing errors
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SIRAHFF authored Aug 21, 2024
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Showing 1 changed file with 5 additions and 5 deletions.
10 changes: 5 additions & 5 deletions docs/source/GROMACS/Tutorial-2.rst
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Expand Up @@ -195,7 +195,7 @@ Create an index files adding a group for WT4 and NaW:

.. code-block:: bash
echo -e "r WT4 | r NaW\nq\n" | make_ndx -f dna_ion.gro -o dna_ion.ndx
echo -e "r WT4 | r NaW\nq\n" | gmx make_ndx -f dna_ion.gro -o dna_ion.ndx
.. note::

Expand All @@ -215,17 +215,17 @@ Make a new folder for the run:
.. code-block:: bash
mdrun -deffnm dna_em &> EM.log &
gmx mdrun -deffnm dna_em &> EM.log &
**Equilibration**:

.. code-block:: bash
gmx grompp -f ../sirah.ff/tutorial/2/GPU/eq_HYBSOL.mdp -p ../topol.top -po eq.mdp -n ../dna_ion.ndx -c dna_em.gro -o dna_eq.tpr
gmx grompp -f ../sirah.ff/tutorial/2/GPU/eq_HYBSOL.mdp -p ../topol.top -po eq.mdp -n ../dna_ion.ndx -c dna_em.gro -r dna_em.gro -o dna_eq.tpr
.. code-block:: bash
mdrun -deffnm dna_eq &> EQ.log &
gmx mdrun -deffnm dna_eq &> EQ.log &
**Production (100ns)**:

Expand All @@ -235,7 +235,7 @@ Make a new folder for the run:
.. code-block:: bash
mdrun -deffnm dna_md &> MD.log &
gmx mdrun -deffnm dna_md &> MD.log &
.. note::

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