This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• tiwithfg.zip: Input files (input structures, topology, Gromacs and Plumed input files, analysis scripts) for simulations used to demonstrate functionality of combined thermodynamic integration and flying Gaussian method. The method is demonstrated on N-acetylproline. Tested on OpenMPI 4.0.0, Gromacs 2018.5 and Plumed 2.5.0. Submission scripts are provided.
• README.txt: README.txt file with descriptions.