meghnashankar

No (valid) input file! exit.

3

I am running XTB 6.4.0 with Crest 2.11.2. It was running on molecules with 134 and fewer atoms, but I am now attempting to run it on molecules with 188...

Crest performance on Ubuntu virtual machine in Azure

2

Hi, I am a student new to Crest, and I am trying to find conformers for molecules that range from 80-300 atoms. I initially tried to run crest through WSL...