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Input files for GROMACS tutorials

LAMMPS and Python input files corresponding associated with gromacs tutorials, including:

  • GROMACS data files, input files, and parameter files,
  • Python scripts for generating structures and analyzing data.

All GROMACS scripts are compatible with the 2024.2 version.

Main repository

Find here the main repository for GROMACS tutorial.

About me & Contact

I am a computer physicist in soft matter and fluids at interfaces. You can find more information on my personal webpage.

See the contact page. You can report issues here on Github, or send me an email. Your feedback is always appreciated.

License & Acknowledgments

All the GROMACS inputs/data/parameter files and Python scripts are released under the GNU general public license v3.0.

This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 101065060.

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