PyThinFilm - Python Thin-Film Deposition Simulation Using GROMACS

PyThinFilm is a Python tool designed to assist users with configuring and running molecular dynamics simulations of thin-film deposition processes in GROMACS.

This document explains the procedure for installing, configuring, and running PyThinFilm.

Reference

• Getting Started
• Command-Line Interface
• List of Configuration Options
• Examples & Helpful Tips