Data from molecular dynamics simulations of amyloid beta with the Martini 3 force field

Data behind figures 1, 2, 3, 5, 6 and 9 included in the open-access publication titled "A practical guide to all-atom and coarse-grained molecular dynamics simulations using Amber and Gromacs: a case study of disulfide-bond impact on the intrinsically disordered amyloid beta" by Pamela Smardz, Midhun Mohan Anila, Paweł Rogowski, Mai Suan Li, Bartosz Różycki and Pawel Krupa (International Journal of Molecular Sciences 25: 6698, 2024). The data were generated in molecular dynamics simulations with the Martini 3 force field. The major goal of the publication was to provide step-by-step protocols for setting up, conducting, and analyzing molecular dynamics simulations on the example of the amyloid beta peptide. For details on how the data is arranged in files, please see the "readme.txt" file in the ZIP archive.