Re: [AMBER] Material simulation using Amber and Interface FF

From: Pengfei Li <>
Date: Fri, 26 Oct 2018 17:48:46 -0400

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: <>. This is the main page of the Tutorial A27: <>.

Hope it helps,

> On Oct 23, 2018, at 5:42 PM, Sundar <> 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
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