Installing MCPB.py

Since MCPB.py is a program included in AmberTools15 and onward versions, the first step is to install AmberTools. AmberTools can be easily installed as a conda environment:

conda create --name AmberTools21
conda activate AmberTools21
conda install -c conda-forge ambertools=21 compilers
conda update -c conda-forge ambertools

Once AmberTools is installed, the MCPB.py program will be included by default.