GROMOS 53A6 based atomistic force field for the conjugated polymer P3HT, the fullerene derivative PCBM and chlorobenzene.The provided files are in GROMACS format (see GROMACS manual and tutorial in ca
SL marks single layer decamers and DL double layer decamers. The symbol * marks the mixed rat-human amylin complexes, where the first five strands are from the human amylin sequences and the last five
Can be used to run MD with the NeuralForceField repository. Units for the dataset are: kcal/mol for energy, kcal/mol-Å for forces, Å for units of length.
