From chemistry-request ^%at%^ ccl.net Wed Jan 14 10:43:48 2004 Received: from klingon.uab.es (klingon.uab.es [158.109.14.5]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0EFhlc1029119 for ; Wed, 14 Jan 2004 10:43:47 -0500 Received: from obelix.qf.uab.es ([158.109.14.83] helo=klingon.uab.es) by klingon.uab.es with esmtp (Exim 3.36 #1 (Debian)) id 1Agmwh-0002p0-00 for ; Wed, 14 Jan 2004 16:28:39 +0100 Message-ID: <400562FB.10107(at)klingon.uab.es> Date: Wed, 14 Jan 2004 16:40:43 +0100 From: Olivier Reply-To: olivier(at)klingon.uab.es User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.0.0) Gecko/20020623 Debian/1.0.0-0.woody.1 X-Accept-Language: en MIME-Version: 1.0 To: chemistry(at)ccl.net Subject: tinker and Xtalmin Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hello, I would like to compute the structure of a monolayer of organic molecules using the xtalmin program of the Tinker package. Does anybody ever experienced this kind of calculation with Tinker ? Thanks Olivier