VMD-L Mailing List

From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Tue Apr 11 2023 - 10:10:13 CDT

Hello Giacomo thank you for your kind update:).

For the ffTK I am using I need to use Gaussian09 only, how does ORCA relate
to Gaussian09?
(From what I have seen online, for a Mac I would need to to download
Gaussian within Linux, accordingly this post
is just for confirmation of this.). Thanks:)

On Tue, Apr 11, 2023 at 5:04 PM Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

> By the way, ffTK also supports ORCA:
>
> https://urldefense.com/v3/__https://orcaforum.kofo.mpg.de/__;!!DZ3fjg!6YV7-Cpinm4132T4fuPbtvt-ulvrlW10fDGjPkstqf9o3_5LBEjOBryWatlRPMOKq8y6Srru3aiacAihYcgiOfugbw$
>
> After registering and logging into the website, you can see the download
> links, including Linux and macOS. They have both "Intel" and "Arm64"
> builds for macOS, but I haven't gotten the chance to try them.
>
> Giacomo
>
> On Tue, Apr 11, 2023 at 10:21 AM Axel Kohlmeyer <akohlmey_at_gmail.com>
> wrote:
>
>> Gaussian installation instructions are on the gaussian homepage.
>> https://urldefense.com/v3/__https://gaussian.com/__;!!DZ3fjg!6YV7-Cpinm4132T4fuPbtvt-ulvrlW10fDGjPkstqf9o3_5LBEjOBryWatlRPMOKq8y6Srru3aiacAihYcgca2MdUA$
>> <https://urldefense.com/v3/__https://gaussian.com/__;!!DZ3fjg!8pv26azEzX3eHhZjD5_BUVSOM5Woav1QccD4bROIzSLUzz_ZQtIuixK1pnwE39dptKmGWtdaEVahIT5HEg$>
>> I think they have native support for macOS.
>>
>> On Tue, Apr 11, 2023 at 9:28 AM Joel Subach <mjsubach_at_alumni.ncsu.edu>
>> wrote:
>>
>>> Hello I have a macOS Ventura 13.1 and need to install Gaussian09
>>> on this to use ffTK Geometry Optimization, which would be the best
>>> method towards this? (I believe Linux involved?). Thanks:) Joel 🚀
>>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!6YV7-Cpinm4132T4fuPbtvt-ulvrlW10fDGjPkstqf9o3_5LBEjOBryWatlRPMOKq8y6Srru3aiacAihYcg1ai-Qug$
>> <https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!8pv26azEzX3eHhZjD5_BUVSOM5Woav1QccD4bROIzSLUzz_ZQtIuixK1pnwE39dptKmGWtdaEVaGUwPmhQ$>
>> College of Science & Technology, Temple University, Philadelphia PA, USA
>> International Centre for Theoretical Physics, Trieste. Italy.
>>
>