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Re:Math Breakthrough Speeds Supercomputer Simulations by l33tman on Sunday October 20, 2019 @06:45AM (#21303353)
Yeah I've worked a lot with this and was also curious as the thermo distribution is just one part, you also have a lot of short range forces that explode if you increase the timestep by too much and I didn't see any tricks around that (except the usual like freezing the fastest degrees of freedom, completely removing hydrogens with virtual sites etc).

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