Example Applications of Molecular Dynamics Data Streaming with IMDv3 (update)

Compared to v0.1, we added a structured Jupyter notebook for our example applications as well as a narrated video that explains the individual steps associated with the analysis of streamed data from running simulations.

Example Applications of Molecular Dynamics Data Streaming with IMDv3

This repository contains scripts to run and analyze data streams from molecular dynamics simulations run using our IMDv3-enabled versions of GROMACS, NAMD and LAMMPS with IMDclient and MDAnalysis.