[DFTB-Plus-User] DFTB+ and Gromacs Support

[James A Charles]

Hello,

I saw in your recent paper "DFTB+, a software package for efficient approximate density functional theory based atomistic simulations" that you have a GROMACs interface. I downloaded and compiled the GROMACs fork with no issues.

Do you have a dftb+ and GROMACs input deck example of how to use the interface?

Thanks,
James

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