From chemistry-request@server.ccl.net Mon Jul 1 06:18:46 2002 Received: from smtp1.dti.ne.jp ([202.216.228.36]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g61AIju08743 for ; Mon, 1 Jul 2002 06:18:45 -0400 Received: from b159504364 (PPP80.fukuoka-ip.dti.ne.jp [211.132.92.80]) by smtp1.dti.ne.jp (3.07) with SMTP id g61AIemg024213 for ; Mon, 1 Jul 2002 19:18:43 +0900 (JST) Message-ID: <003b01c220e8$afcdd940$505c84d3@b159504364> From: "Telkuni" To: Subject: Role of electron correlation on hydrogen bonds Date: Mon, 1 Jul 2002 19:18:46 +0900 MIME-Version: 1.0 Content-Type: text/plain; charset="Windows-1252" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.50.4133.2400 X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4133.2400 Dear CCLers, I have a question of the role of electron correlation in hydrogen bonds. I hope to hear your opinion. I think there are small correlation effects in hydrogen bonds, because: 1) There isn't no electron between bonding atoms, so correlation effect is very small. 2) The hydrogen bonds are made of electronic static potential(by coulomb force). So there is electronic effect rather than quantum effect. I will summarize the replies. Thanks in advance. -------------------------------------------------- Telkuni Tsuru Kyushyu Electronic Technology and Research telkuni@venus.dti.ne.jp -------------------------------------------------- From chemistry-request@server.ccl.net Sun Jun 30 15:03:30 2002 Received: from pizarro.unex.es (root@[158.49.8.2]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5UJ3Tu22077 for ; Sun, 30 Jun 2002 15:03:30 -0400 Received: from tajo.unex.es (root@tajo.unex.es [158.49.133.12]) by pizarro.unex.es (8.9.3/8.9.1) with ESMTP id VAA21490 for ; Sun, 30 Jun 2002 21:03:25 +0200 Received: from qohermes.unex.es ([158.49.118.11]) by tajo.unex.es (8.9.3/8.9.1) with ESMTP id VAA13348 for ; Sun, 30 Jun 2002 21:03:25 +0200 X-Authentication-Warning: tajo.unex.es: Host [158.49.118.11] claimed to be qohermes.unex.es Message-Id: <5.1.0.14.2.20020630210400.00a56030@tajo.unex.es> X-Sender: cfernan@tajo.unex.es X-Mailer: QUALCOMM Windows Eudora Version 5.1 Date: Sun, 30 Jun 2002 21:11:40 +0200 To: chemistry@ccl.net From: "Dr. Carlos F. Marcos" Subject: Autodock tools under LINUX Mime-Version: 1.0 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Hi everyone, Sorry if my question is trivial. I'm having some trouble getting autodock tools or Pmv to work. When I try to run the pmv script I get the following error: "ImportError: libglut.so.3: cannot open shared object file: No such file or directory". I have no idea if libglut.so.3 is general library of LINUX, or if it's specific of Phyton or ADT, and I don't know how to solve the problem. Has anyone solved anything similar? Thanks in advance. Carlos.

________________________________________________________________________
Dr. Carlos Fern=E1ndez Marcos
Departamento de Qu=EDmica Org=E1nica. Facultad de Veterinaria. Universidad d= e Extremadura.
Avenida de las Ciencias s/n. 10071 C=C1CERES (SPAIN)
tel.: 34-927-257158
fax: 34-927-257110
e-mail: cfernan@unex.es
Website:  http://www.unex.es/qoceres/qoceres.htm
________________________________________________________________________=



From chemistry-request@server.ccl.net Mon Jul 1 21:54:28 2002 Received: from mario.zsu.edu.cn ([61.143.56.20]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g621sRu11840 for ; Mon, 1 Jul 2002 21:54:28 -0400 Received: from zsulink.zsu.edu.cn (zsulink.zsu.edu.cn [202.116.64.1]) by mario.zsu.edu.cn (8.11.5/8.11.5) with ESMTP id g6224sN19823 for ; Tue, 2 Jul 2002 10:04:54 +0800 (CST) Received: from liu ([202.116.67.106]) by zsulink.zsu.edu.cn (8.11.5/8.11.5) with SMTP id g621uAS12975 for ; Tue, 2 Jul 2002 09:56:10 +0800 (CST) Message-ID: <000d01c2216a$f8201fa0$0700a8c0@liu> From: "ÁõѧÎÄ" To: Subject: Autodock 3.0 Date: Tue, 2 Jul 2002 09:51:23 +0800 X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2615.200 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2615.200 X-Filter-Version: 1.7 (fw.zsu.edu.cn) Dear CCLers:, I am a new man on Autodock.I have meet with some problem during using of autodock. Why the energies in the two dlg files of the example are different ? I wonder whether the energies could be a real interaction energy. How can I get the reqm and eij of metal ion or atom? Do you have the example of ligand with metal ion? Could you give me one? Best regards sincerely yours Xue-Wen Liu **************************************** E-mail: cep00Lxw@student.zsu.edu.cn