Avogadro 1.98.1 Geometry optimization tool makes spaghetti

I believe this to be a bug with Avogadro

Environment Information

Avogadro version: 1.98.1 Nightly Build Downloaded on 11/12/23
Operating system and version: Windows 11 Pro Version 22H2

Expected Behavior

Geometry optimization tool produces an optimized geometry.

Actual Behavior

Geometry optimization tool produces spaghetti.

Steps to Reproduce

Draw any molecule (I especially enjoy acetylene or acetylacetone), in Extensions>Calculate, click optimize.

Pictures and Coordinate Files (.xyz cartesian)

It’s not “spaghetti” - you’re applying a simple Lennard-Jones model. That’s the result.

I’d suggest installing miniconda and conda install -c conda-forge openbabel for example.

More methods are in progress, but if you want to optimize using the Open Babel force fields, either install that or use the Extensions ⇒ Open Babel ⇒Optimize Geometry.

That’s why the Open Babel options still exist. The merged version doesn’t exist yet.

Excellent, worked a treat!

side note- realized i never hit send on this even though i typed it a few days ago, my bad!