Using OpenMMTools in Google Colab

CondaExampleWithOpenMM.ipynb

Hi Oliver, a year later, I found out what was happening: the conda solver sneakily updates python, which creates all sorts of problems. Make sure to add python=3.6 to the list of packages passed to conda install and it should work ok!

Hi, my name is Ted. I tried running your code and encountered the following error. Would be grateful if any of you could help me figure it out. I got the error while running simtk.testInstallation.main().

Failed to import OpenMM packages; OpenMM will not work.
Make sure OpenMM is installed and the library path is set correctly.

Error message: cannot import name '_openmm' from 'simtk.openmm' (/usr/local/lib/python3.6/site-packages/simtk/openmm/init.py)
An exception has occurred, use %tb to see the full traceback.

SystemExit: 1

Hi @drcube98-mrss! Colab has changed a bit its internals but I didn't update this notebook. Take a look at my condacolab project for a new updated workflow. You can see an example here.