-------------------------------------------------------- AMBER SQM VERSION 14 By Ross C. Walker, Michael F. Crowley, Scott Brozell, Tim Giese, Andreas W. Goetz, Tai-Sung Lee and David A. Case -------------------------------------------------------- -------------------------------------------------------------------------------- QM CALCULATION INFO -------------------------------------------------------------------------------- QMMM: System specified with odd number of electrons ( 143) QMMM: but odd spin ( 1). You most likely have the charge of QMMM: QM region (qmcharge) set incorrectly. Correct error and re-run calculation.