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