Dear Ishrat,
I recommend this article and references therein for TMAO + urea parameters:
http://dx.doi.org/10.1021/jacs.7b11695.
Kind regards,
Erik
__
Erik Marklund, PhD, Associate Professor of Biochemistry
Associate Senior Lecturer in Computational Bi
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 wrote:
> Dear all,
> I want to do MD simulation of protein in urea and urea-TMAO mixture. Can
>
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
s
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
s
