New MONET Publication in Macromolecules

A team from the Olsen and Rubinstein labs, in collaboration with others at University of Campinas and University of South Florida, extend BigSMILES to accommodate nonatomic particles, enabling it to represent coarse-grained models of polymers in a manner directly analogous to atomic structures. The new syntax coarse-grained BigSMILES (CG-BigSMILES) combines a layer-based annotation with linking to force field files to capture both chemical structures and interacting potentials.

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