Christian jB
christianjburnham@gmail.com
More generally- I would like to calculate the energies for ~100 conformers of a molecule, all using the same basis set/level of theory. Of course, I'd like to automate the process as much as possible and I don't really want to spend hours constructing 100 near identical input files and submitting jobs essentially by hand. Does anyone have any suggestions for a way to streamline the process?