When I tried Mcenter in Lsqman in order to find the "central" model using diferent method ( imp or exp ), it gave me two totally different answer. Which one is more reliable? I realized that when using "imp" and the defaul setting (at ca, set sim), the central model gave some value of 999.990 for RMSD. My question is: will the "imp" option do something wield? It should only IMPROVE but not CHANGE the result entirly?? Thanks for any help. jinsong -- ----------------------------------------------------------------------- Jinsong Liu Department of Chemistry, Phone: 908-445-2200 Rutgers university, Fax: 908-445-5958 Piscataway, NJ 08855, USA Email: jinsong@rutchem.rutgers.edu -----------------------------------------------------------------------
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