I want to do a run with the DFTB+ package to put two monomers together and get the best orientation, what should the HSD file look like?

Mahboobeh Ghorbani @Mahboobeh-Ghorbani-7

5 weeks ago 1 4K Report

I want to do a run with the DFTB+ package to put two monomers together and get the best orientation, what should the HSD file look like? I need two XYZ files for the monomer, a dimer file with the .gen extension, and a HSD file. Is there a ready-made HSD file for this?

#DFTB+

Tsolmontuya Dambasanjaa

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