[gmx-users] Force field for urea and urea-TMAO mixture

[Alessandra Villa]

Hi,
The urea model of Lorna Smith (
https://pubs.acs.org/doi/abs/10.1021/jp030534x
) should be compatible with  GROMOS force field.
Best regards
Alessandra

On Wed, Mar 4, 2020 at 7:00 AM ISHRAT JAHAN <jishrat17 at gmail.com> wrote:

> Dear all,
> I want to do MD simulation of protein in urea and urea-TMAO mixture. Can
> you suggest me which force field would be better for urea and urea tmao
> mixture? Is Kast-2016 TMAO model is compatible with gromos54a5 force field
> as I have done the simulation of protein with this force field. Any
> suggestions regarding this will be highly appreciated.
> Thank you
> Regards
>
>
> --
> Ishrat Jahan
> Research Scholar
> Department Of Chemistry
> A.M.U Aligarh
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