From krys.radacki $#at#$ ac.rwth-aachen.de Fri May 8 03:29:36 1998 Received: from mail.rwth-aachen.de for krys.radacki -x- at -x- ac.rwth-aachen.de by www.ccl.net (8.8.3/950822.1) id DAA25371; Fri, 8 May 1998 03:25:12 -0400 (EDT) Received: from ac.rwth-aachen.de (pae102.ac.RWTH-Aachen.DE) by mail.rwth-aachen.de (PMDF V5.1-10 #23726) with ESMTP id <01IWSARW5V8A0003RX%!at!%mail.rwth-aachen.de> for chemistry \\at// www.ccl.net; Fri, 8 May 1998 09:21:28 +0200 Date: Fri, 08 May 1998 07:20:26 +0000 From: Krzysztof Radacki Subject: GaussView error Sender: root %-% at %-% mail.rwth-aachen.de To: Comutating Chemistry List Message-id: <3552B239.D2F25387- at -ac.rwth-aachen.de> Organization: Inst. Inorg. Chem., RWTH Aachen, Germany MIME-version: 1.0 X-Mailer: Mozilla 4.05 [en] (X11; I; Linux 2.1.99 i586) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit Hi CCL-ers In last par days GaussViev makes my hairs grey. Every time when Gaussian job is broken with error-link due to reaching of maximal optimalization steps GaussView by try to read molecule from log-data and after "warning : no archive entry produce error" produce new error dialog: "Activietes: " -Reading Gaussian Out file " -Parsing Gaussian LOG file " -Reading Gaussian Charge Data " "Error Message: " Invalid Charge Data (Line 11460) where line 11460 of logfile is: "Sum of Mulliken charges= 0.00000 In correctly terminated file one can find: "Sum of Mulliken charges= .00000 but of course this one '0' makes no difference in error-dialog. Any sugestions how can I quick view my last geometry (quick means that I don't want to copy last cartesian from log-file and formate it to gaussian input). -- Krzys Radacki krys.radacki*- at -*ac.rwth-aachen.de