Some tips to install openMM for production

Preparing the conda environment

It is handy to leave openMM in a conda environment created to run simulations.
So, first of all be sure you have installed anaconda.

Next, create a environment with a name you can identify as being for openMM simulations. For example:

conda create -n openMM python

This will create a new environment called openMM. You need to activate it by running:

conda activate openMM

Check the conda documentation for more details on managing environments.

Installing openMM

You are now ready to install openMM

conda install -c conda-forge openmm