Is Preservation of Symmetry Necessary for Coarse-Graining?

29 November 2019, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


This work investigates how preservation of molecular symmetry affects accuracy of coarse-grained (CG) molecular dynamics simulation. We studied 26 mapping operators for 7 molecules to find that it has little effect on accuracy of CG simulations.


coarse-grained mappings


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