From chemistry-request@server.ccl.net Fri Aug 2 11:31:45 2002 Received: from mailbox.engr.sc.edu ([129.252.21.5]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g72FVjf18361 for ; Fri, 2 Aug 2002 11:31:45 -0400 Received: by mailbox.engr.sc.edu with Internet Mail Service (5.5.2656.59) id ; Fri, 2 Aug 2002 11:31:42 -0400 Message-ID: From: "WANG, YIXUAN " To: "'chemistry@ccl.net'" Subject: one output problem of G98 Date: Fri, 2 Aug 2002 11:31:39 -0400 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2656.59) Content-Type: text/plain; charset="iso-8859-1" Dear all, To optimize force fields we need the force constants in Cartesian coordinates. For the small molecules, G98 does give this output with #p, however there is no such output for the bigger molecules with more than 50 atoms. Does anybody know how to solve the problem? Thanks. Yixuan Wang Department of Chemical Engineering University of South Carolina Columbia, SC 29208