/And-the-protein-ligand-went-boom

A collection of various computational chemistry/biochemistry fails

MIT LicenseMIT

And the protein/ligand went boom

A collection of various computational chemistry/biochemistry fails.

To quote the Gromacs manual: https://manual.gromacs.org/current/user-guide/terminology.html#blowing-up

Blowing up is a highly technical term used to describe a common sort of simulation failure. In brief, it describes a failure typically due to an unacceptably large force that ends up resulting in a failure of the integrator.

It is annoying, but the artwork is fun!

cover.png

turd.png

deconstructed.png

boom.png

I3Phucked.png

schmembrane.png

![this worked.png](this worked.png)

AF2_threaded.png

bleww.png

spiderhaem.png

thread.png

PhePro.png

fail2.png