This guide is a set of Jupyter notebooks intended to help researchers already familiar with molecular dynamics simulation learn how to use OpenMM in their research and software projects.
# For Mac OS X, substitute `MacOSX` for `Linux` below wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh bash -b ./Miniconda3-latest-Linux-x86_64.sh -p $HOME/miniconda export PATH=$HOME/miniconda/bin:$PATH conda install --yes -c omnia -c conda-forge jupyter notebook openmm mdtraj nglview
There is a detailed document describing OpenMM here
OpenMM is a set of libraries that lets programmers easily add molecular simulation features to their programs, and an “application layer” that exposes those features to end users who just want to run simulations. Instructions for installation under MacOSX are here.
OpenMM works on Mac OS X 10.7 or later. OpenCL is supported on OS X 10.10.3 or later.