daniel-r-roe.bsky.social
@daniel-r-roe.bsky.social
Computational chemist, scientific software developer (Amber/CHARMM), author of CPPTRAJ.
Interviewer: Can you explain this gap in your resume?

Me: We lost 2 drives simultaneously in our RAID 1 array.
December 21, 2024 at 5:28 PM
I do all my coding with vim. It’s everywhere and reliable though a terminal.
December 4, 2024 at 4:31 PM
It was successful! 😌
December 3, 2024 at 7:55 PM
Forgot to mention it! “Über Schwingungen in Raumgittern” (‘On vibrations in space lattices’ according to google translate) by M. Born & Th. von Kármán.
November 30, 2024 at 8:51 PM
I’m surprised “cpptraj” isn’t bigger…
November 23, 2024 at 10:35 PM
It depends on how critical sampling/convergence are to the question you are trying to answer. If it’s critical, any slowdown can be a pain.
November 23, 2024 at 3:53 PM
I love stuff like this. MD is so much fun!
November 21, 2024 at 1:29 AM