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A comment on What exascale computing could mean for chemistry. Parent comment

Re:What exascale computing could mean for chemistry by alpineidyll3 on Monday September 12, 2022 @09:24PM (#32819656)
Well put. Of course Anton's Force field isn't accurate enough to correctly predict conformational equilibria of proteins ;P although it does scale!
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Re:What exascale computing could mean for chemistry by mechagodzilla on Tuesday September 13, 2022 @09:37AM (#32824101)
That’s just a general limitation of the fixed-charge Amber/charmm molecular mechanics force fields everyone uses for molecular dynamics (whether you’re running on an Anton, or running gromacs or namd on a cluster or GPU, they all use the same MMFFs).
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