I started to optimise a protein. But due to a power failure the process terminated before completion. So I need to restart my calculation. There were several suggestions on using opt=restart. I tried that but it did not work. What I did was, saved the interrupted Gaussian output as a new input file. Then opened the new input file in Gaussian09 and kept everything above coordinates section as it was except opt in the route section. I changed opt in to opt=restart and gave the run but this did not work. Can anyone please tell me what is the mistake? Or is my method wrong? Link to the gaussian files

  • $\begingroup$ Let us continue this discussion in chat. $\endgroup$ Nov 29, 2022 at 8:25
  • 1
    $\begingroup$ In the future, we would rather not create a new chat room whenever the comments on a question/answer get long. We have tended to take the approach of moving comments to an existing room as described in this meta post. I'm going to move the comments to the Gaussian chat room and redirect the created chat link. $\endgroup$
    – Tyberius
    Dec 1, 2022 at 4:27
  • $\begingroup$ I gave my +1 long ago, but please see this: mattermodeling.meta.stackexchange.com/q/393/5 and modify the question accordingly (if you still want it open). @Tyberius the chat indicates that a "new" error arose, do you think the original question has an answer? PriZarah you can answer too! $\endgroup$ May 28, 2023 at 3:03


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