[gmx-users] united atom ff for l and d a.a mutation study......

[prashant kurkute]

Dear friends,
   I mutate the protein, amino acid l  by d amino acid.
I want to check the effect of mutation on binding of ligand.
I decided to use the gromos 966 53a6 ff.


 As it is united atom ff,is it is wise to use these ff for these purpose?

I will be greatly thankfull for for suggestion.


-- 
PRASHANT KURKUTE,
M.S.MEDICINAL CHEMISTRY,
(NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH)