Thank you Pengfei for replying,
Could you recommend me a tutorial or some other resource to learn the usage
of the CartHess2FC.py program?
Thank you in advance,
Akshay.
On Tue, Feb 4, 2020 at 7:43 AM Pengfei Li <ambermailpengfei.gmail.com>
wrote:
> 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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>
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Received on Mon Mar 16 2020 - 21:30:02 PDT
