Hi Jubilant,
AMBER can only transfer the car file to mol2 file. You can try to use a program, maybe Materials Studio, to convert your cif file to a car file. And then follow this tutorial: http://ambermd.org/tutorials/advanced/tutorial27/hap_water.htm <http://ambermd.org/tutorials/advanced/tutorial27/hap_water.htm>. This is the main page of the Tutorial A27: http://ambermd.org/tutorials/advanced/tutorial27/index.htm <http://ambermd.org/tutorials/advanced/tutorial27/index.htm>.
Hope it helps,
Pengfei
> On Oct 23, 2018, at 5:42 PM, Sundar <jubilantsundar.gmail.com> wrote:
>
> Group,
>
> I am trying to use INTERFACE force field (IFF) for a material simulation
> containing silica. I have my chemical in cif format. Does anyone have
> experience in using IFF with Amber? How do I read cif or get it converted
> to mol2 with atom types of IFF and run Amber simulations?
>
> --
> Thanks,
> Jubilant
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Received on Fri Oct 26 2018 - 15:00:02 PDT
