AMBER Archive (2009)

Subject: [AMBER] QM/MM minimization

From: gaurav panwar (gauravniperpi_at_gmail.com)
Date: Thu Sep 10 2009 - 09:05:37 CDT

I got following error on performing minimization.
QMMM: System specified with odd number of electrons ( 127)
QMMM: but odd spin ( 1). Correct error and re-run calculation.
how this error can be removed.
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