Introductory TURBOMOLE demonstration by Dr. Saswata Roy

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  • Опубліковано 17 вер 2024

КОМЕНТАРІ • 9

  • @drscottsimpson
    @drscottsimpson 10 місяців тому

    Thank you for this!

  • @YTantirungrotechai
    @YTantirungrotechai Рік тому

    thank you. very clear and easy to follow tutorial.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD  5 місяців тому

      I’m so glad it was helpful, thank you for your message!

  • @jeremyerb9435
    @jeremyerb9435 Рік тому +1

    Loved the video! Very informative

  • @maximkouglo8672
    @maximkouglo8672 2 місяці тому

    I am KOUGLO Kodjo Maxim from the University of Lome (West Africa). I visited your website and am currently working with Turbomole to study some molecules. I started using Linux on my own computer due to convergence problems related to processor capacity with jobex. I am now trying to switch to macOS but am facing difficulties installing Turbomole on macOS and am currently stuck.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD  29 днів тому

      I'm sorry to hear that you are having trouble getting Turbomole to work on your machine. I'm honestly not sure what is causing the issue, but I can take a wild guess. :-) Again, this is totally a guess, but I'm guessing TURBOARCH is some sort of variable holding the architecture of your computer, and you mentioned you switched from Ubuntu to Mac OS, so maybe that variable no longer makes sense with the new operating system. Maybe the uninstall of the Ubuntu version was incomplete or something like that? This is only a guess, but I hope it helps.

  • @jeneeshmpd525
    @jeneeshmpd525 Рік тому

    could you please tell me how to do emission spectra in turbomole..i did absorption spectra