[gmx-users] g-C3N4 GROMOS parameters

[Lamm Gro]

Dear Morten ,

Greetings .
I exactly have the same question !
Did you find a way about doing simulation on g-C3N4 by GROMACS ?
I will be grateful if you can let me know about that.

Regards,
Saeed.


On Tue, Dec 6, 2016 at 1:13 AM, Morten <morten at slyngborg.com> wrote:

> Hi,
>
>
> anyone got an idea of the best way to parameterize a g-C3N4 structure for
> the GROMOS force field? I am not sure if PRODRG will be useful as it is
> difficult to find properties to parameterize after. Any applicable
> literature is welcome :)
>
>
> Best regards
>
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