Hi all, I am trying to restart my geometry optimization job in Gaussian. The job ended for a mundane reason - ran out of allocated time on my university’s computer cluster. I followed the instructions on the Gaussian FAQ and set # opt = restart. When I ran the job it failed with an ONIOM not found on unit 2 error. I changed the %chk= line to have the explicit path to the .chk file and it retu…

Amino acids, hydrogen bond distances, in a particular protein along with other various properties of binding submitted by /u/Michael_Chair_6013 [link] [comments]