Hello everybody I have a question regarding the Adsorption locator module. Normally when I do heavy simulations with castep and Dmol3, I can create some input files and then I submit them to our super computer cluster (laval university, Quebec) to be solved using the .Sh file. I can eventually make the input files using dmol3/setup/files/create input files without running job.
How can I do the same thing by Adsoprtion locator module to take advantage of the speed of super computer of our university? Thank you