Setting up Python Environment for Advanced Molecular Dynamics

1. Create the environment

Run in your terminal.

Create the new environment named md with a clean Python installation:

conda create -n md python=3 -y

2. Activate the environment

Switch into your newly created environment:

conda activate md

3. Install the MD analysis and plotting packages

Install the required packages directly inside the active md environment:

conda install -c conda-forge mdanalysis mdtraj -y
pip install numpy matplotlib seaborn