Periodic boundary conditions in xtb

[Ameneh3526]

I try to run the MD simulation and geometry optimization under periodic conditions by using --mcgfnff flag in xtb. After running the program I received this error,

-1- prog_main_parseArguments: Unknown option '--mcgfnff' provided

And by default, the program is run based on GFN2-xtb.

I don't know what to do to run my program in periodic conditions.
I need to run my program with --mcgfnff flag.

[Albkat]

which version of xtb you are using?

[Ameneh3526]

I use xtb version 6.6.1

[Albkat]

mcGFN-FF is implemented in the xtb version 6.7.0.

[Thomas3R]

The periodic boundary conditions for GFN-FF, as well as the --mcgfnff flag are only included in the latest version 6.7.0.
You can find the release here: https://github.com/grimme-lab/xtb/releases/tag/v6.7.0

[Ameneh3526]

Thank you so much.