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Polarizable continuum model (PCM), molecular dynamic (MD) simulations, and hybrid quantum mechanics\/molecular mechanics (QM\/MM) calculations are used to disclose the effects of solute\/solvent interactions and, more generally, the role of the embedding in NMR simulations. The results show the beneficial effect of carrying out QM\/MM optimizations on top of geometries directly extracted from classical MD simulations, used to ensure representative conformational sampling. The nuclear shielding convergence has been tested against a different number of snapshots and with the inclusion of solvent shells into the QM region. An automated MD\/\/QM\/MM\/\/GIAO protocol, implemented in the COBRAMM package, is here proposed and tested on trimethyl phosphite showing that our approach boosts the convergence of nuclear shielding satisfactorily. 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