From 2f313cdc978ce2c5aa8bd7e012df999cc64f543f Mon Sep 17 00:00:00 2001 From: luciannahss Date: Wed, 21 Aug 2024 11:51:52 -0300 Subject: [PATCH] gromacs_flag --- docs/source/GROMACS/Tutorial-1.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/GROMACS/Tutorial-1.rst b/docs/source/GROMACS/Tutorial-1.rst index 442d3d4..a7cf0a9 100644 --- a/docs/source/GROMACS/Tutorial-1.rst +++ b/docs/source/GROMACS/Tutorial-1.rst @@ -237,7 +237,7 @@ Make a new folder for the run: .. code-block:: bash - gmx grompp -f ../sirah.ff/tutorial/1/GPU/eq_CGDNA.mdp -p ../topol.top -po eq.mdp -n ../dna_cg_ion.ndx -c dna_cg_em.gro -o dna_cg_eq.tpr + gmx grompp -f ../sirah.ff/tutorial/1/GPU/eq_CGDNA.mdp -p ../topol.top -po eq.mdp -n ../dna_cg_ion.ndx -c dna_cg_em.gro -r dna_cg_em.gro -o dna_cg_eq.tpr .. code-block:: bash