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v1(For chainlike structure.)
※v2 now supports linear structures. We recommend using v2.
v2(For crosslinked structure / condensed ring structure.)
※v2 now supports linear structures.
Maximum number of the split atom(1~150):
※Set when the parameter can not be acquired with LigParGen even with a low number of atoms such as fullerene. Details will be written in v2 thesis
Maintain ring structure and divide
※To maintain aromaticity etc., maintain ring structure and divide. Parameters can not be acquired for molecules in which condensed rings such as graphene / fullerene occupy most of the structure, and for cross-linked structures. Details will be written in v2 thesis.
When PolyParGen finished to make OPLS-AA force field parameter file, you are informed by PolyParGen server.