From chemistry-request:~at~:server.ccl.net Fri Jun 2 18:25:09 2000 Received: from uscmail.usc.es (uscmail.usc.es [193.144.75.8]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id SAA32332 for ; Fri, 2 Jun 2000 18:25:08 -0400 Received: from qogolem (qogolem.usc.es [193.144.74.235]) by uscmail.usc.es (8.9.1/8.9.1) with SMTP id AAA22337 for ; Sat, 3 Jun 2000 00:25:04 +0200 (MET DST) From: "Armando Navarro" To: Subject: formatted g98w checkpoint Date: Sat, 3 Jun 2000 00:13:11 +0200 Message-ID: <01bfccdf$bd794d40$eb4a90c1 ^%at%^ qogolem.usc.es> Dear members: I have observed that when I modify the molecular orbitals coefficients by hand in a g98w formatted checkpoint file, and then II tranlate the .fch file to the unformatted check point and then I read the modified orbitals with guess=3D(read,only), the printed coefficients are not the modified values but some other values. I suppose that g98 makes some check of the wavefunction. There is some way to prevent this?. Thanks in Advance Armando Navarro Departamento de quimica organica Facultade de quimica e-mail qoajnv #at# usc.es