Plotting-MD-Metadynamics

In this repo I will present how to plot time-series data, free energy profiles from molecular dynamics (MD) and metadynamics (MetaD) simulations. This project was inspired by:

1. https://github.com/AfroditiMariaZaki/FunnelMetadynamicsAnalysis/blob/master/GlyRMetaD.ipynb and
2. https://notebook.community/UWPRG/Python/tutorials/MetaD%20countours

Software requirements:

1. MDAnalysis
2. MSMBuilder
3. Jupyter Notebook
4. Python

Please access the input files used in this notebook here: https://www.dropbox.com/sh/sop6grsv7n9uu5k/AACy4mJSLu1vgP5UF0XNMSxKa?dl=0

Please open up an issue if you want to contribute with new examples and have suggestions to improve the quality of plots. For more details contact: bhakatsoumendranath@gmail.com