Hi Jubilant,
Here is a tentative tutorial which may be helpful: http://ambermd.org/tutorials/advanced/tutorial27/index.htm <http://ambermd.org/tutorials/advanced/tutorial27/index.htm>.
I don’t know any relevant papers been published. And I have no idea about the performance of GAFF for zeolites, or about the accuracy of simulating the inorganic-organic interfaces in AMBER.
Hope it helps,
Pengfei
> On Jan 4, 2019, at 12:06 AM, Sundar <jubilantsundar.gmail.com> wrote:
>
> I'm trying to perform simulations on zeolites (silicates and aluminates).
> Had anyone ever written any tutorials for them or had performed simulations
> using Amber force fields and published?
>
> How does INTERFACE FF (https://bionanostructures.com/interface-md/) work
> with Amber?
> How good are the GAFF analogous parameters for zeolites?
>
> How accurate can we model inorganic-organic interfaces in Amber?
>
> --
> Thanks,
> Jubilant
> _______________________________________________
> 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 Thu Jan 10 2019 - 08:00:05 PST
