This package provides several tools for online MD analysis, in terms of data monitoring and post processing.
Big acknoledgment to G. Sterbini for his input.
This package assumes that you are using also the cl2pd package, available here: https://github.com/sterbini/cl2pd
You can install the package, for instance on the SWAN terminal (www.swan.cern.ch), using:
pip install --user git+https://github.com/apoyet/md2pd.git
or to upgrade it
pip install --upgrade --user git+https://github.com/apoyet/md2pd.git
or to upgrade a fork of the project
pip install --upgrade --user git+https://github.com/apoyet/md2pd.git@fork_name
A template for online MD analysis can be found here: