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Atomistic IDTBT force fields

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posted on 19.01.2021, 06:52 by Anders Skovbo Gertsen
Models for the C16-IDTBT and 2EH-IDTBT polymers for organic solar cells and organic transistors based on the OPLS-AA force field. Includes 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.

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