added some explanatory comments to README.md

README.md

@@ -63,11 +63,12 @@ sudo apt install python3-venv
 To set up pyMBE, the users need to install its virtual environment, install its Python dependencies and configure the path to the ESPResSo build folder as follows:
 
 ```sh
-python3 -m venv pymbe
-source pymbe/bin/activate
-python3 maintainer/configure_venv.py --espresso_path=/home/user/espresso/build # adapt path
+python3 -m venv pymbe  # creates a local folder named pymbe, which contains the virtual environment
+source pymbe/bin/activate  # activates the pymbe venv
+python3 maintainer/configure_venv.py --espresso_path=/home/user/espresso/build # please, adapt the espresso path accordingly
 python3 -m pip install -r requirements.txt
-deactivate
+python3 simulation_script.py # run the espresso simulation script
+deactivate  # deactivate the virtual environment
 ```
 
 We highlight that the path `/home/user/espresso/build` is just an example of a possible