Quantum Mechanical properties

Calculate molecular orbitals and vibrational frequencies. [Requires: Ligprep, Jaguar] [Keywords: quantum mechanics, semi-empirical, parameter flow variables, quick form nodes]

This is a companion discussion topic for the original entry at https://kni.me/w/FNg_Y3bVq6ugQ7he

When I want to execute the workflow, it stops at the Jaguar Sinlge Point Energy node for calculating the molecular orbitals with errors. It can’t find the .mae data of each molecule, but I have nothing changed at the workflow.

Thank you for your help.