[DFTB-Plus-User] DFTB+ xtb GFN-FF MD with pbc

[Arun Sharma]

Hello,
I have a question about using DFTB+ to perform MD simulations (with
periodic boundary conditions) using GFN-FF. My simulations would involve an
aerosol particle immersed in an organic solvent. According to the page here,

https://xtb-docs.readthedocs.io/en/latest/periodic_boundary_conditions.html

PBC is handled in DFTB+, however, the force field GFN-FF is only supported
in xtb. Could anyone please provide an example of running MD simulations
using GFN-FF.

Thank you so much.
Best regards,
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