perses Enable virtual bonds restraint between protein subunits by default

Enable virtual bonds restraint between protein subunits by default

Open ijpulidos opened this issue 2 years ago • 1 comments

From https://github.com/choderalab/openmmtools/pull/544#issuecomment-1071113024

We need to double check how imaging of complex is handled.

Jan 10 '23 22:01 ijpulidos

We want to enable this by default on the setup pipeline for small molecules. I need to check where this is happening in relative_setup.py.

Feb 21 '23 19:02 ijpulidos