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Coarse-grained MARTINI force fields
dataset
posted on 2021-01-19, 06:52 authored by Anders Skovbo GertsenModels for the P3HT and PffBT4T-2OD polymer donors and the O-IDTBR small-molecule acceptor for organic solar cells based on the coarse-grained MARTINI force field. Includes stand-alone force field files (.itp) and structure files (.gro) for the GROMACS molecular dynamics software. These are part of the collection found at https://doi.org/10.11583/DTU.c.5254236.