From chemistry-request@ccl.net Thu May 22 21:31:47 2003 Received: from postoffice.mail.cornell.edu (postoffice.mail.cornell.edu [132.236.56.7]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h4N1Vlbc027794 for ; Thu, 22 May 2003 21:31:47 -0400 Received: from cornell.edu (cs666981-224.satx.rr.com [66.69.81.224]) by postoffice.mail.cornell.edu (8.9.3p2/8.9.3) with ESMTP id VAA15081; Thu, 22 May 2003 21:31:43 -0400 (EDT) Message-ID: <3ECD79F9.42D8CAFA=at=cornell.edu> Date: Thu, 22 May 2003 20:31:38 -0500 From: "Dr. Richard L. Wood" Organization: Cornell University X-Mailer: Mozilla 4.5 [en]C-CCK-MCD {TLC;RETAIL} (WinNT; U) X-Accept-Language: en MIME-Version: 1.0 To: "chemistry=at=ccl.net" Subject: Re: CCL:Periodic system (fwd) References: Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Remove some of the solvent molecules or make the box bigger? Richard Jan Labanowski wrote: > ---------- Forwarded message ---------- > Return-Path: > Date: Wed, 21 May 2003 13:52:56 -0300 > Message-Id: > Subject: Periodic system > From: "ancarauta" > To: jkl=at=ccl.net > > Hi. > I'm calculating a periodic system but the solvent > molecules are blowing up the box. Does anybodry help me? > > Thanks a lot. > > Alexandre Carauta > > > --- > UOL, o melhor da Internet > http://www.uol.com.br/ > > -= This is automatically added to each message by mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY=at=ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST=at=ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jkl=at=ccl.net (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ -- Richard L. Wood, Ph. D. Physical/Computational Chemist Post-doctoral Associate Department of Chemistry Trinity University, San Antonio, TX 78212