Hi everyone,
I'm trying to set up a surface hopping MD simulation in Turbomole and have run into some issues with my control and mdmaster files. I've hit an error that I'm not sure how to fix:
The required keyword was not found:
excitation
Adding it
File to read not found: excitationlog.1
---==> E R R O R
Issues in reading excitation energy
frog^@ ended ABNORMALLY
Could someone provide an example or point me to what might be missing or misconfigured in my input files? I've attached my current files for reference.
Thanks for any help you can offer!
Best,
Marco