文摘
Comparison of TMAO force-fields of Kast, Garcia and Netz Water structure, g(r) is unaffected by TMAO parameters. In solution, Netz and Garcia's model of TMAO prefers TMAO·3H2O complex. Netz's model of TMAO shows larger lifetime of OTMAO…HW hydrogen bond. Translational and rotational dynamics resembles for Kast and Garcia's model.