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

ISHRAT JAHAN jishrat17 at gmail.com
Wed Mar 4 06:58:25 CET 2020


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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