Thanks a lot for ur response. I have installed AmberTools 18 and now sander
can access Gaussian 16.
On Tue, 18 Jun 2019, 11:50 am Gert Kruger, <KRUGER.ukzn.ac.za> wrote:
> Dear Anuja,
>
> I am new and have not done this. I found the following discussion
> about using Gaussian with Amber - see
>
> https://www.researchgate.net/post/how_to_do_a_transition_state_search_using_hybrid_QM_MM_specifically_Amber_and_Gaussian
>
> There was no indication that it does not work, just that one cannot use
> Transition state optimization.
>
> There is also a paper describing using Amber with various QM
> applications, including Gaussian - see
> https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4063945/
>
> Hope that helps.
> Gert Kruger
>
>
>
> On Mon, 2019-06-17 at 16:38 +0530, Anuja Ware wrote:
> > Dear all,
> > I am using Amber14 (Ambertools14) and Gaussian 09 for QM/MM
> > calculations
> > and it is doing a good job. My question is, can we use Gaussian16
> > for QM
> > calculation with amber14? And if yes how?
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 18 2019 - 10:00:04 PDT
