This repository contains additional information related to the stochastic cell rescaling barostat presented in Bernetti and Bussi, Pressure control using stochastic cell rescaling, arXiv:2006.09250 (2020).
The modified SimpleMD code is contained in this directory.
The modified GROMACS code is contained in this repository.
Input files are available in this directory.
The generated datasets are available on Zenodo.
A notebook to perform the analysis reported in the manuscript is available here.