diff --git a/education/molmod_online/simulation.md b/education/molmod_online/simulation.md
index 47537a6c..281731a4 100644
--- a/education/molmod_online/simulation.md
+++ b/education/molmod_online/simulation.md
@@ -318,6 +318,13 @@ This choice is usually limited by the force field, unless there is a specific ne
Generate a topology and matching structure for the p53 peptide with GROMACS.
+
+ Make sure the folder charmm36-jul2022.ff/ is present in your current working directory before running pdb2gmx.
+ When you run the command, GROMACS will prompt you to choose a force field - charmm36-jul2022 should appear as option 1.
+
+
+cp -r $MOLMOD_DATA/charmm36-jul2022.ff .
+
gmx pdb2gmx -f p53_helix.pdb -o peptide.gro -p peptide.top -ignh -ter
@@ -358,7 +365,7 @@ one at each end of the peptide sequence, before capping.
Capping is performed with:
-python pdb_cap.py --pdb peptide_helix.pdb --cap
+python3.10 $MOLMOD_BIN/pdb_cap.py --pdb peptide_helix.pdb --cap
The script produces a new file named peptide_helix_capped.pdb, which should then be used as input for pdb2gmx.