We can’t accurately simulate the physical behavior even of pure water. (Yet; and from other reading about this I’ve done recently, it’s a long way off.) Therefore: Fantasies about simulating brains are fantastical.https://twitter.com/ashleythesmart/status/1032294373382340608 …
Are you working in this field now? I used to work with CHARMM and Amber (the systems used in the paper). Nice to see incremental progress. Have some skepticism about details, but my knowledge is 20 years out if date.
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No. I did some porting and tuning work on these and other codes for SGI back in the mid-90's (and folding@home). The rest is just amateur interest. But I knew D. E. Shaw has been big on making water models better and faster, so I had an idea where to look.
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Ah. I was running them on SGIs in mid-90s, so probably using your code! Small world!
End of conversation
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