Something went terribly wrong in your calculation. The output doesn't look normal at all. Did you manage to perform a successful ETS-NOCV on a smaller system like H3N-BH3 or is this your first attempt?

Yes, this is my first attempt. I didn't do any smaller system. Maybe I should try to do H3N-BH3.

Here you can find the PDF slides and files to an ADF workshop I gave:

http://jerabek.bplaced.net/files/Hands-on-ADF.pdf

http://jerabek.bplaced.net/files/adf-workshop.tar.gz

Hope, that helps you!

Good luck! :)

Thanks a lot.

Hi Chin-Hung,

You may also find the ETS-NOCV webinar by Mariusz Mitoraj helpful:

http://www.scm.com/Videos/Webinars/ETS-NOCV.webm

The slides are also available. Did you already figure out what went wrong? If not, contact us at [email protected]

-Fedor

Thanks for asking. Yes, I have already figure out what went wrong.