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 ------------------------------------------------------------------------------ vRanger cuts backup time in half-while increasing security. With the market-leading solution for virtual backup and recovery, you get blazing-fast, flexible, and affordable data protection. Download your free trial now. http://p.sf.net/sfu/quest-d2dcopy1 _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss