Johannes Stöckelmaier
Johannes Stöckelmaier
Dear All, I tried to run the examples of the pyGromosTools, but they mostly did not manage to finish. Especially parts where the md++ engine is used, seem to fail....
Dear scientific colleges, I try to simulate a protein containing phosphorylation with OpenMM 8.1.1. To my understanding, this capability was added with #151 Let's have a look at this example:...