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Hi @lohedges , thanks for the feedback! > I'd prefer an API where the use can simply pass the mut_idx to all of the appropriate functions That sounds good! I...

Thanks for your thorough inspection! It's nice to see the API getting cleaner. > Apologies for the lack of progress on your soft-bond feature. No problem, feel free to leave...

Wow! Great to hear that! 🥂

Update Gromacs to the latest version might help, from its [release note](https://manual.gromacs.org/documentation/2022/release-notes/2022/major/highlights.html): > Free-energy kernels are accelerated using SIMD, which make free-energy calculations up to three times as fast when...

It seems like the documentation needs update: 

@bp-kelley 's solution not working in windows.

linux也有这个问题

Hi @p0p4k , may I ask where is the blog? Many thanks! I'd like to implement something similar in tortoise tts, is that possible?

I'm still getting this error with the newest version of uv.

> Do you mean 0.1.11 or the main branch? 0.1.11