From owner-chemistry@ccl.net Sun Aug 4 03:30:00 2013 From: "mary salari msch1387:gmail.com" To: CCL Subject: CCL: how to solve error 1002 Message-Id: <-49053-130804012000-3462-p6VSVvLT90GC6USJeuFTGg- -server.ccl.net> X-Original-From: "mary salari" Date: Sun, 4 Aug 2013 01:19:59 -0400 Sent to CCL by: "mary salari" [msch1387||gmail.com] i want to calculate potential for FAD molecule,i use MPW1PW91 method and 6-31G** basis set,at the end of my output i give the message NIJ>Max 2 in MMCore the way that iput my job is: #mpw1pw91/6-31G** opt Int=(Grid=Ultrafine) Int=(FMMNatoms=300) SCF=QC