Iván Pulido

Apparently we need to pin the OpenmmForceFields version as well, until we can support the latest OpenFF toolkit version.

There are two problems in the latest CI. One with `openff.units` imports and another which is the one directly linked here. They *might* be related.

@jchodera If we really want users to expect the timing information, then we need to make these changes on the `openmmtools` side [here](https://github.com/choderalab/openmmtools/blob/2e64980d86cf087f69e282927eebf2b41b73a3ea/openmmtools/multistate/multistatesampler.py#L796), to set the logging level of this...

We might want to be able to control this from a CLI argument.

Thanks! I was wondering if we need all the docker files here or if we want to always have the "latest". I know some of these have been created specifically...

Thanks! I was trying to see how the visualization changes using the code in https://gist.github.com/IAlibay/089f614665ab3a10d076990ba8cd8024 from issue #1078 , but I don't really see a difference. What do we expect...

@jchodera What should happen in this case?

@dominicrufa I checked and the `SmallMoleculeSetProposalEngine._constraint_repairs` method is being called, but the length of the `adjusted_atom_map` is the same after running it. From what I can see, that method is...

> > * Remove any edges that are constrained in both states but differ in bond lengths This is getting done in the current state of things. > * Remove...

Getting `invalid option` even though it is following the documentation at https://docs.readthedocs.io/en/stable/guides/conda.html#making-builds-faster-with-mamba `Problem in your project's configuration. Invalid "build.tools.python": readthedocs.yml: Invalid configuration option: build.tools.python. Make sure the key name is...