tim-the-wizard

> [@tim-the-wizard](https://github.com/tim-the-wizard) Your question shares the tools you used, however forgot to equally provide structure data to replicate your observation. GitHub's web interface allows you to add a .zip archive...

Thanks for having a look @nbehrnd. I understand forcefields aren't very accurate. I'm just using forcefields to generate some conformers. I raised this issue only because I believe the premature...

@nbehrnd Yep, I'm using forcefields for conformer generation and identification of minima, prior to performing electronic structure calculations. I was looking at both conjugate gradients and steepest descent with the...