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Aug 13, 2016 at 18:09 comment added jheindel Ya that's why I was saying it's an upper bound. I think I remembered to write that... I wasn't sure if I expected that it would take more or less molecules to accurately simulate something with fewer intermolecular forces like propane or something similar. And I only threw in the whole 360 thing just cause the paper I cited used that many molecules so I could at least be certain that should work... It's a very difficult question.
Aug 13, 2016 at 11:51 comment added terdon There's never anything wrong about answering a question, no matter how old it is. That's one of the great things about SE. However, I'm not sure about your 360 rule. For one thing, that 360 were enough doesn't imply that 359 wouldn't be. For another, water is rather special, I'm not sure that the rules found for water would apply to other molecules. Very good point about the spectroscopic properties though. That may well be the right way of approaching this.
Aug 12, 2016 at 21:58 comment added jheindel Also my apologies for answering an old question. I just like this one a lot :)
Aug 12, 2016 at 21:57 history answered jheindel CC BY-SA 3.0