From owner-nwchem-users Fri Apr 25 03:41:12 2003 Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.8.8+Sun/8.8.5) id DAA24110 for nwchem-users-outgoing; Fri, 25 Apr 2003 03:32:14 -0700 (PDT) Date: Fri, 25 Apr 2003 05:19:09 -0500 From: Randall Hall Subject: maximum number of atoms? X-Sender: rhall@mail011.lsu.edu To: nwchem-users@emsl.pnl.gov Message-id: <5.2.0.9.0.20030425051727.00b15598@mail011.lsu.edu> MIME-version: 1.0 X-Mailer: QUALCOMM Windows Eudora Version 5.2.0.9 Content-type: text/plain; format=flowed; charset=us-ascii Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hello, is there a limit of 200 atoms in an oniom calculation? i can't find anything to this effect in the manual or in the mailing list archives, but a test job with ~230 atoms is only recognizing the first 200 atoms. thanks rwh Randall W. Hall Professor of Chemistry Louisiana State University Baton Rouge, LA. 70803-1804 225-578-3472; FAX 225-578-3458 rhall@lsu.edu