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Is Preservation of Symmetry Necessary for Coarse-Graining?
preprintsubmitted on 22.11.2019, 02:59 and posted on 29.11.2019, 11:41 by Maghesree Chakraborty, Jinyu Xu, Andrew White
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.
Read the published paper
in Physical Chemistry Chemical Physics
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