Re: [AMBER] parameters for Si3N4

From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Mon, 3 Feb 2020 21:13:34 -0500

Hi Akshay,

I am not sure whether GAFF supports Si3N4 or not. The CartHess2FC.py program in AmberTools may help to generate force field parameters for Si3N4. You can check the AMBER manual for further details.

Pengfei

> On Jan 13, 2020, at 11:38 AM, Akshay Prabhakant <akshayresearch16.gmail.com> wrote:
>
> Greetings to the AMBER community,
> I wanted to know whether amber has any force field files for Si3N4. If not,
> how should I go about using GAFF for the force field file generation for
> the same molecule.
>
> Thank you in advance.
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Received on Mon Feb 03 2020 - 18:30:03 PST
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