David Slochower

> @slochower any example (Manubot) manuscripts with a long or oversized table? Pretty much any of them here, including Table 1. https://slochower.github.io/smirnoff-host-guest-manuscript/v/ff89e7673fc8bab233594a294e51aad25d1c6839/ I'm pretty sure I've seen collapsible ones, but...

> @dhimmel Perhaps we should open a general discussion about these types of third party plugins. Yup. Figuring out the best way to integrate, e.g., plot.ly would also be useful.

> Regarding your LaTeX on CI issues, it seems like a Docker environment could help. I do see us eventually switching to Docker containers for running builds, but perhaps this...

Yes, this would be nice. I fiddled with this awhile back and always ended up opening a new tab even if the build was already open in another tab. I...

> Also in the source, can you specify the protocol in @url:www.ambermd.org like @url:http://www.ambermd.org. Also any reason not to use the redirected URL: @url:https://iqb.rutgers.edu/? Yep & nope. > This could...

> Also in the source, can you specify the protocol in @url:www.ambermd.org like @url:http://www.ambermd.org. Also any reason not to use the redirected URL: @url:https://iqb.rutgers.edu/? - Adding `http` doesn't fix the...

Apologies for the delay, I was traveling and encountered some unanticipated airline silliness. I quickly skimmed the thread, so I may have missed a few details, but here are my...

@j-wags @davidlmobley ``` # FIXME: OpenForceField does not provide residue names! structure.residues[0].name = "RES" # FIXME: OpenForceField does not provide atom names! for index, atom in enumerate(structure.atoms): atom.name = f"{atom.element_name}{index}"...

Also, please check that the 1-4 terms are correct (e.g., SCEE and SCNB). These are not populated correctly for AMBER using ParmEd: ``` # FIXME: ParmEd does not assign scee...

I'd say putting TIP3P parameters somewhere "official" (or, you know, just providing a little more polished way of accessing them) ought to be a high priority. It would make rolling...