A versatile AMBER-Gaussian QM/MM interface through PUPIL

Juan Torras, Gustavo de M. Seabra, Erik Deumens, S. B. Trickey, Adrian E. Roitberg. A versatile AMBER-Gaussian QM/MM interface through PUPIL. Journal of Computational Chemistry, 29(10):1564-1573, 2008. [doi]

Abstract

Abstract is missing.