Hi Thank you for the videos I did a freq calculations and then open the output file with avogadro. The vib panel opens on the right but contrary to your example, if I select one frequency avogadro tells me that "it does not exist any frequency displacement". Vibrational frequencies and normal modes are well printed in the output file. I have the 1.2.0 version of avogadro on mac os x Thanks
very well explained but i got a problem anyways. Im running orca from a server, not though my own computer so i dont know how to run orca_pltvib in this fashion. anybody could give a hand?
Thank you a bunch for the lecture, you can't imagine how much help you doing somebody. However do you know how to use orca and avogadro for DNA simulations.
I am using ORCA 4.0.1.2 on cluster. after successful geometry optimization when I do do the frequency calculation, it always gives me the error message "cannot open .gbw file". Can you please help me?
Hello. Really helpful videos. I am trying to open frequency calculations from orca into orca supported Avogadro, but it gives error: cannot read geometry. Could you help please? For that matter Avogadro should open ANY Orca output file..Is it right?
I suggest you open the orca output file in Notepad++ for example and read what's in it. If there was some error during your calculation, then it would be printed out there.
Hi
Thank you for the videos
I did a freq calculations and then open the output file with avogadro. The vib panel opens on the right but contrary to your example, if I select one frequency avogadro tells me that "it does not exist any frequency displacement". Vibrational frequencies and normal modes are well printed in the output file.
I have the 1.2.0 version of avogadro on mac os x
Thanks
It is really helpful for beginners. Thanks
Hi I want to do Raman shift prediction. COuld you please guide me on which OCRA software should I install?
Really clear and helpful. Thanks!
very well explained but i got a problem anyways. Im running orca from a server, not though my own computer so i dont know how to run orca_pltvib in this fashion. anybody could give a hand?
Thank you a bunch for the lecture, you can't imagine how much help you doing somebody. However do you know how to use orca and avogadro for DNA simulations.
Could you be more specific?
I am using ORCA 4.0.1.2 on cluster. after successful geometry optimization when I do do the frequency calculation, it always gives me the error message "cannot open .gbw file". Can you please help me?
Hello. Really helpful videos. I am trying to open frequency calculations from orca into orca supported Avogadro, but it gives error: cannot read geometry. Could you help please? For that matter Avogadro should open ANY Orca output file..Is it right?
I suggest you open the orca output file in Notepad++ for example and read what's in it. If there was some error during your calculation, then it would be printed out there.
@@IaNiusha The calculations finished normally. It was a proper finish.
@@TheSpinninHead ok, well then I would need to see the file to say anything else
@@IaNiusha could you mail me on pkchopra1951@gmail.com?
thank you really much!
thanks
Hi can I please have your email to ask couple of questions. Thanks.