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FEP calculations of relative binding affinity using Amber software

To run this notebook:

  1. Install miniconda or the full anaconda on your laptop.

  2. Download this github repository and unzip.

  3. Install and activate the environment described by the file environment.yml by running the following in your terminal:

     conda env create -f environment.yml
     source activate Jupyter_project
    
  4. Start the notebook by running the following in your terminal:

     jupyter notebook
    

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