From: alparone <aga...@un...> - 2011-05-24 13:54:11
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Dear Avogadro's users, does anybody know: 1) the method (Monte Carlo,...) used for the conformational search procedure "systematic rotor search" and in case the related references; 2) what are the units for the energy (kcal/mol, a.u.,...) obtained by the conformational search method. Thanks in advance Best regards Andrea ---------------------------------------------------------------- Universita' di Catania - A.P.Se.Ma. Servizio di Posta Elettronica |