Source files for GROMACS tutorial notebook: Lipid self-assembly using coarse-grained Martini force field.
- Login to Puhti web interface and select Jupyter for courses.
- Course module name is
gromacs-demo-[en|fi], select either along with appropriate computational resources.enfor English version,fifor Finnish.- Not much memory is needed, but selecting multiple cores is informative to see how parallelization affects the performance.
- Launch the notebook and follow the instructions.
The notebook uses the dependencies listed in def.yml.