General updates | JW – Protein prep workshop went quite well. May be helpful to have you for the 7 AM april series of workshops as well Any update on thoughts about attending scipy? Fine if none, just want to reserve a tutorial TA slot for you if you’re coming. Syncing up on mathane thingon methane thing MT – I’m impressed with the way that this is being handled by DM, LW, WW. I haven’t had any direct messages/other non-public comms about this, so I’m seeing the same stuff as you. Still undusre about root cause. The water bond length thing was good to fix but didn’t seem related. The number of waters thing is confusing… My top suspect if that this is something to do with how GROMACS minimizes systems. IF someone was going to spend more time on this (which I’m not planning) then the thing I’d look at is comparing GROMACS' minimizer compared to MD at 0 temperature. Maybe something going on with SHAKE/SETTLE here.
Nice work handling literally everything while JM and I have been doing comms things for yet another week. A pharma company asked whether the BCCs in Openff-recharge are correct/validated. You’re the current maintainer and I’m nearly certain you have no opinion, but just checkin JW – A user at the protein prep workshop asked if we could support silicon conda package deployments. Do you know if we can?
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