[gmx-users] united atom ff for l and d a.a mutation study......
prashantkurkute2 at gmail.com
Wed Jan 30 16:00:10 CET 2013
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.
(NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH)
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