From chemistry-request@server.ccl.net Sun Sep 1 12:31:14 2002 Received: from mailer.gwdg.de ([134.76.10.26]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g81GVD512737 for ; Sun, 1 Sep 2002 12:31:14 -0400 Received: from vrlab03.mpibpc.gwdg.de ([134.76.211.99] helo=mpi-bpc.mpg.de) by mailer.gwdg.de with esmtp (Exim 3.33 #12) id 17lXd2-0004qt-00 for chemistry@ccl.net; Sun, 01 Sep 2002 18:31:12 +0200 Message-ID: <3D72409B.5050809@mpi-bpc.mpg.de> Date: Sun, 01 Sep 2002 18:30:19 +0200 From: Vlad Cojocaru User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:0.9.4) Gecko/20011126 Netscape6/6.2.1 X-Accept-Language: en-us MIME-Version: 1.0 To: CCL list Subject: abinition calculations on Nucleic Acid bases Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit dear CCLers, Does somebody know some references on the ab initio calculation of electron densities and electrostatic potetial for the Nucleic Acid bases??? Has anyone done this type of calculations on 2 amino purine???? I would like to compare some of my results with previous calculations. Thanks a lot in advance, Best wishes, vlad -- Vlad Cojocaru Max Planck Institut for Biophysical Chemistry Deparment: 060 Am Fassberg 11, 37077 Goettingen, Germany tel: ++49-551-201.1389 e-mail: Vlad.Cojocaru@mpi-bpc.mpg.de From chemistry-request@server.ccl.net Sun Sep 1 19:08:19 2002 Received: from mailer.gwdg.de ([134.76.10.26]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g81N8I525957 for ; Sun, 1 Sep 2002 19:08:19 -0400 Received: from vrlab03.mpibpc.gwdg.de ([134.76.211.99] helo=mpi-bpc.mpg.de) by mailer.gwdg.de with esmtp (Exim 3.33 #12) id 17ldpJ-0001cl-00 for chemistry@ccl.net; Mon, 02 Sep 2002 01:08:17 +0200 Message-ID: <3D729DAA.6080202@mpi-bpc.mpg.de> Date: Mon, 02 Sep 2002 01:07:22 +0200 From: Vlad Cojocaru User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:0.9.4) Gecko/20011126 Netscape6/6.2.1 X-Accept-Language: en-us MIME-Version: 1.0 To: CCL list Subject: plotting RMSD matrices Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Dear CCLers Does anyone know a freeware that can display three dimensional plots of RMSD matrice sduring MD simulation. Something that AMIRA can do? Thanks a lot for any kind of future answers, Best regards, vlad -- Vlad Cojocaru Max Planck Institut for Biophysical Chemistry Deparment: 060 Am Fassberg 11, 37077 Goettingen, Germany tel: ++49-551-201.1389 e-mail: Vlad.Cojocaru@mpi-bpc.mpg.de From chemistry-request@server.ccl.net Sun Sep 1 23:53:41 2002 Received: from ccl.net ([192.148.249.4]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g823re502291 for ; Sun, 1 Sep 2002 23:53:40 -0400 Received: from arlen.ccl.net (arlen.ccl.net [192.148.249.10]) by ccl.net (8.11.6+Sun/8.11.6/OSC 2.1) with ESMTP id g823rfm10085; Sun, 1 Sep 2002 23:53:41 -0400 (EDT) Date: Sun, 1 Sep 2002 23:53:38 -0400 (EDT) From: Jan Labanowski To: chemistry@ccl.net cc: Jan Labanowski Subject: Coordinator will be in travel for 3 weeks... Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL, I will be out of the country for 3 weeks (yes... the https://asdn.net/moscow thing). I am leaving the CCL in the caring hands of my student assistants, and I will keep my fingers crossed. CCL "equipment" gets a litte bit rusty. E.g., on Friday, one of the UPSes died ghasping unbelievable stench which one can still smell in the room. So, be understanding, and let us hope that there will not be a major diseaster. I will try to read mail, but as you know, it is a royal pain when you do it over the big water, since latency is getting you... All the best, Your moderator, Jan Labanowski jkl@ccl.net Jan K. Labanowski | phone: 614-292-9279, FAX: 614-292-7168 Ohio Supercomputer Center | E-mail: jkl@ccl.net 1224 Kinnear Rd, | http://www.ccl.net/~jkl Columbus, OH 43212-1163 | http://www.ccl.net/ http://asdn.net/