Lester Hedges

Hi there, yes, I meant review as well as merge. Since it's quite a large PR it might take me a while to go through. I'll let you know if...

I've now done the work required to update your PR so that it is compliant with the new Sire 2023 API. I've checked that all tests pass locally and have...

Oh, and just to note that Sire 2023 has [broken SOMD](https://github.com/michellab/Sire/issues/408). I have a [fix](https://github.com/michellab/Sire/tree/fix-somd-2023) and this will be merged in as soon as it has been tested.

No the conflict resolution wasn't too bad. It was just accepting a few updates your branch over `devel`, renaming all `Sire imports` to `from sire.legacy` instead, and deleting the, now...

Hi there, At present we don't provide general support for alternative lambda schedules with FEP, but is something that we'd like to support in future. As you've noted, we do...

There aren't any at present. Since the exsting `Protocol` classes are so basic they are tested implicitly through the tests in `test/Process`, i.e. we check that each protocol can be...

No problem. If working in the sandpit then tests should go in, e.g. `test/Sandpit/Exscientia/Protocol`. Just remember to import from the appropriate sandpit within the test scripts, e.g.: `import BioSimSpace.Sandpit.Exscientia as...

Ah yes, probably hold off until the PR is merged. It should be easy enough for you to copy your working files into the sandpit once it is ready.

Yes, will do.

The sandpit has now been merged. Once @msuruzhon has set up your fork you will be able to work within the sandpit space. (Either from your own development branch, or...