From chemistry-request@ccl.net Fri Jan 30 03:21:38 2004 Received: from iris (iris.inc.bme.hu [152.66.63.5]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0U8LbU6028958 for ; Fri, 30 Jan 2004 03:21:37 -0500 Received: from dino (helo=localhost) by iris with local-esmtp (Exim 3.36 #1 (Debian)) id 1AmTw7-0004SR-00; Fri, 30 Jan 2004 09:23:35 +0100 Date: Fri, 30 Jan 2004 09:23:35 +0100 (CET) From: Szieberth Denes To: Eric Hu cc: chemistry~at~ccl.net Subject: Re: CCL:g98 error In-Reply-To: <20040130011228.81604.qmail~at~web60108.mail.yahoo.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII 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 > b3lyp/6-31++g**. I got the following error message > although I have plenty of disk space: > > Erroneous write during file extend. write 188415 > instead of 4096 > Probably out of disk space. > Write error in NtrExt1 > Hi, If you are working on a 32bit platform, g98 has a file size limit of 2GB. Try to split the rwf file into several parts (look for the %rwf option in the manual). cheers, dino From chemistry-request@ccl.net Fri Jan 30 00:17:09 2004 Received: from brass.metals.hope.edu (brass.metals.hope.edu [198.110.98.36]) by server.ccl.net (8.12.8/8.12.8) with SMTP id i0U5H8U7022183 for ; Fri, 30 Jan 2004 00:17:08 -0500 Received: from hope.edu ([198.110.98.17]) by brass.metals.hope.edu (SAVSMTP 3.1.1.32) with SMTP id M2004013000153811119 ; Fri, 30 Jan 2004 00:15:38 -0500 Received: from hope.edu [65.42.185.115] (matthew.zwier~at~hope.edu) by hope.edu; Fri, 30 Jan 2004 00:16:27 -0500 X-WM-Posted-At: hope.edu; Fri, 30 Jan 04 00:16:27 -0500 Message-ID: <4019E946.7020306~at~hope.edu> Date: Fri, 30 Jan 2004 00:19:02 -0500 From: Matthew Zwier Reply-To: matthew.zwier~at~hope.edu User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.0; en-US; rv:1.4) Gecko/20030624 X-Accept-Language: en-us, en MIME-Version: 1.0 To: Eric Hu CC: chemistry~at~ccl.net Subject: Re: CCL:g98 error References: <20040130011228.81604.qmail~at~web60108.mail.yahoo.com> In-Reply-To: <20040130011228.81604.qmail~at~web60108.mail.yahoo.com> Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=2.6 required=7.0 tests=RCVD_IN_DYNABLOCK, RCVD_IN_SORBS autolearn=no version=2.61 X-Spam-Level: ** X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear Eric, What architecture are you running G98 on? If it's a 32-bit platform and not specially (and officially-unsupported-ly) compiled, your SCR, INT, RWF, and D2E files are each limited to 2GB. The number given is probably wraparound error as G98 increments its file pointer past the ~2*2^31 position. You can work around this as follows with Link 0 command: %rwf=rwf01,2047MB,rwf02,2047MB,rwf03,2047MB... and so on, just so you don't total more than 16GB for each of %rwf, %int, %d2e, and %chk. You can also try adding MaxDisk keywords to your route line (# method/basis ... ... MaxDisk=2040MB). I've been bitten by this before, and used both solutions successfully, though the most efficient thing to do would be find a friend at an institution with a 64-bit supercomputer ... Good luck! Matt Zwier Hope College Eric Hu wrote: >Hi I am doing a frequency calculation with >b3lyp/6-31++g**. I got the following error message >although I have plenty of disk space: > > 99 vectors were produced by pass 10. > 99 vectors were produced by pass 11. > 99 vectors were produced by pass 12. > 99 vectors were produced by pass 13. > 99 vectors were produced by pass 14. > 90 vectors were produced by pass 15. > 49 vectors were produced by pass 16. >Erroneous write during file extend. write 188415 >instead of 4096 >Probably out of disk space. >Write error in NtrExt1 > >Eric > > From chemistry-request@ccl.net Fri Jan 30 03:40:43 2004 Received: from pickering.cc.nd.edu (pickering.cc.nd.edu [129.74.250.225]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0U8efU6029507 for ; Fri, 30 Jan 2004 03:40:41 -0500 Received: from localhost (localhost [127.0.0.1]) by pickering.cc.nd.edu (Switch-3.1.3/Switch-3.1.0) with ESMTP id i0U8ge7O000119; Fri, 30 Jan 2004 03:42:41 -0500 (EST) Received: from 129.74.52.172 ([129.74.52.172]) by webmail.nd.edu (IMP) with HTTP for ; Fri, 30 Jan 2004 03:42:40 -0500 Message-ID: <1075452160.401a1900e585e{at}webmail.nd.edu> Date: Fri, 30 Jan 2004 03:42:40 -0500 From: "Jan K. Labanowski" To: chemistry{at}ccl.net, microelectronics{at}asdn.net Cc: jlabanow{at}nd.edu Subject: TMS Electronic Materials Conference, Notre Dame, June 23-25 MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit User-Agent: Internet Messaging Program (IMP) 3.2.2 X-Originating-IP: 129.74.52.172 X-ND-MTA-Date: Fri, 30 Jan 2004 03:42:42 -0500 (EST) X-ND-Virus-Scan: engine v4.2.40; dat v4321 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 Only few days are left until the deadline for abstract submissions to the TMS Electronic Materials Conference, Notre Dame, Indiana, USA, June 23-25 For details, please see the Web site of the Conference: http://www.tms.org/Meetings/Specialty/EMC04/EMC04.html See you in Notre Dame. > From the Conference Announcement: TMS Electronic Materials Conference, Notre Dame, June 23-25 The 46th Electronic Materials Conference (EMC) sponsored by the Electronic Materials Committee of TMS will be held at Notre Dame University, Notre Dame, Indiana from June 23 through June 25, 2004. The conference will provide a forum for topics of current interest and significance in the areas related to the preparation and characterization of electronic materials. Individuals actively engaged or interested in electronic materials research and development are encouraged to attend this meeting, and papers in this general subject are solicited. EMC/DRC The Device Research Conference (DRC) and the Electronic Materials Conference (EMC) of TMS will again coordinate activities. The DRC will be held on Monday, June 21 through Wednesday, June 23, 2004. The EMC will be held on Wednesday, June 23 through Friday, June 25, 2004. Device-oriented papers should be submitted to the DRC and materials-oriented papers to the EMC. Inquires about DRC should be forwarded to: Pallab Bhattacharya University of Michigan Department of Electrical Engineering and Computer Science 1301 Beal Avenue Ann Arbor, MI 48109-2122 Tel: (734)763-6678 Fax: (734)763-9324 Email: pkb{at}eecs.umich.edu The major thrust areas of the 2004 Electronic Materials Conference in Notre Dame, Indiana include: * Wide bandgap semiconductor materials and device applications * Nanoscale science and technology in materials * Organic, molecular and nanotube-based materials and devices * Epitaxial growth * Contacts * Materials integration * Materials issues in advanced silicon technology * Narrow-bandgap semiconductors * Spin-dependent electronic materials * Materials issues for sensors The Electronic Materials Conference (EMC) aims to provide the premier annual forum for presentations of current interest and significance to the preparation, characterization and application of electronic materials. Research on semiconductors, dielectrics, metals, and molecular materials is included within the conference scope. Individuals actively engaged or interested in electronic materials research and development are encouraged to submit papers and attend the conference. The attended audience includes students, professors, scientists, engineers, researchers, technicians, R&D managers, and product managers ABSTRACT DEADLINE: FEBRUARY 3, 2004 Contact: Edward Yu University of California, San Diego 9500 Gilman Drive ECE Dept MC 0407 La Jolla, CA 92093-0407 Tel: (858)534-6619 Fax: (858)822-3425 Email: ety{at}ece.ucsd.edu Sent by: Jan K. Labanowski, Ph.D. tel. (574) 631-5465 Science Computing Facility FAX (574) 631-9293 University of Notre Dame Notre Dame, IN 46556-5670 From chemistry-request@ccl.net Thu Jan 29 22:40:26 2004 Received: from visual1.chem.pitt.edu (visual1.chem.pitt.edu [136.142.153.211]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0U3ePU6019456 for ; Thu, 29 Jan 2004 22:40:25 -0500 Received: from darth (ararat.chem.pitt.edu [136.142.109.25]) by visual1.chem.pitt.edu (8.12.6-20030917/8.12.6) with SMTP id i0U3bTRP029830; Thu, 29 Jan 2004 22:37:31 -0500 Message-ID: <02a501c3e6e3$0ffe8910$196d8e88@darth> From: "Kadir Diri" To: "Eric Hu" , References: <20040130011228.81604.qmail_at_web60108.mail.yahoo.com> Subject: Re: CCL:g98 error Date: Thu, 29 Jan 2004 22:42:19 -0500 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1158 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1165 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 Hi! How big is the *.rwf file? If you are using the 32-bit g98, even if you have lots of scratch space, you cannot have files bigger than 2GB. If that is the problem, you can split the *.rwf file into several files. Gaussian98 will allow you to create max 8 such files, which means you can run jobs that use at most 8x2=16 GB of disk space on 32-bit systems. kadir ----- Original Message ----- From: "Eric Hu" To: Sent: Thursday, January 29, 2004 8:12 PM Subject: CCL:g98 error > Hi I am doing a frequency calculation with > b3lyp/6-31++g**. I got the following error message > although I have plenty of disk space: > > 99 vectors were produced by pass 10. > 99 vectors were produced by pass 11. > 99 vectors were produced by pass 12. > 99 vectors were produced by pass 13. > 99 vectors were produced by pass 14. > 90 vectors were produced by pass 15. > 49 vectors were produced by pass 16. > Erroneous write during file extend. write 188415 > instead of 4096 > Probably out of disk space. > Write error in NtrExt1 > > Eric > > __________________________________ > Do you Yahoo!? > Yahoo! SiteBuilder - Free web site building tool. Try it! > http://webhosting.yahoo.com/ps/sb/ > > > -= This is automatically added to each message by the 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, jlabanow_at_nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > From chemistry-request@ccl.net Fri Jan 30 04:32:05 2004 Received: from mailhost3.tudelft.nl (mailhost3.tudelft.nl [130.161.180.14]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0U9W4U6031796 for >ccl.net>; Fri, 30 Jan 2004 04:32:04 -0500 Received: from 127.0.0.1 (localhost [127.0.0.1]) by rav.antivirus (Postfix) with SMTP id 29427BF10E for >ccl.net>; Fri, 30 Jan 2004 10:34:06 +0100 (MET) Received: from mail.dct.tudelft.nl (tnw-dct1.dct.tudelft.nl [130.161.196.201]) by mailhost3.tudelft.nl (Postfix) with ESMTP id F1D18BF10C for >ccl.net>; Fri, 30 Jan 2004 10:34:05 +0100 (MET) Received: from TNW-DCT1/SpoolDir by mail.dct.tudelft.nl (Mercury 1.48); 30 Jan 04 10:34:05 +0200 Received: from SpoolDir by TNW-DCT1 (Mercury 1.48); 30 Jan 04 10:33:58 +0200 From: "Stefan Bromley" >tnw.tudelft.nl> Organization: Delft University of Technology (TNW-DCT) To: chemistry<>ccl.net Date: Fri, 30 Jan 2004 10:33:52 +0100 MIME-Version: 1.0 Subject: Summary: Computational drug discovery Message-ID: <401A330A.27335.3235F3E0@localhost> Priority: normal X-mailer: Pegasus Mail for Windows (v4.12a) Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Content-description: Mail message body 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 Dear CCL, many thanks to all of you who responded to my request. For those of you who also asked me for a forward of the summary please find it below. Cheers, Stefan > > Hi, CCLers! > > Last week I posted a question asking for references of marketed drugs > whose invention were largely aided by structure-based design methods. > Most of the replies point to the following review article: > > Larry Hardy & Antony Malikayil, The impact of structure-guided drug > design on clinical agents, Current Drug Discovery, 2003, December, > 15-20. > http://www.currentdrugdiscovery.com/2003/december.html > This paper discussed ~40 compounds developed with SBDD, seven of them > are marketed drugs. > > Here are some addtional examples: Crixivan (1,2), Viracept (3), Trusopt > (4), Zanamivir (5,6) > > 1. BD Dorsey, RB Levin, SL McDaniel, JP Vacca, JP Guare, PL Darke, JA > Zugay, EA Emini, WA Schleif, JC. Quintero, JH Lin, I-W Chen, MK > Holloway, > PMD Fitzgerald, MG. Axel, D Ostovic, PS Anderson, JR Huff. L- 735,524: > The > Design of a Potent and Orally Bioavailable HIV Protease Inhibitor. J > Med > Chem 37:3443-3451, 1994. > > 2. Holloway, M. K. et al. In Computer-Aided Molecular Design, > Reynolds, C. H. et al., Eds. ACS Symp. Series 589:36-50, 1995. > > 3. SW Kaldor, VJ Kalish, JF Davies, II, BV Shetty, JE Fritz, K > Appelt, JA Burgess, KM Campanale, NY Chirgadze, DK Clawson, BA > Dressman, > SD Hatch, DA Khalil, MB Kosa, PP Lubbehusen, MA Muesing, AK Patick, SH > > Reich, KS Su, JH Tatlock. Viracept (Nelfinavir Mesylate, AG1343): A > Potent, Orally Bioavailable Inhibitor of HIV-1 Protease. J Med Chem > 40:3979-3985, 1997. > > 4. J Greer, JW Erickson, JJ Baldwin, MD Varney. Application of the > Three-Dimensional Structures of Protein Target Molecules in > Structure-Based Drug Design J Med Chem 37:1035-1054; 1994. > > 5. von Itzstein, M.; Wu, W. Y.; Kok, G. B.; Pegg, M. S.; Dyason, J. C.; > Jin, > B.; Van Phan, T.; Smythe, M.; White, H. F.; Oliver, S. W.; Colman, P. > M.; > Varghese, J. N.; Ryan, D. M.; Woods, J. M.; Bethell, R. C.; Hotham, V. > J.; > Cameron, J. M.; Penn, C. R. Rational Design of Potent Sialidase- based > Inhibitors of Influenza Virus Replication. Nature, 363, 418-423 (1993). > > 6. M. von Itzstein, Jeffrey C. Dyason, Stuart W. Oliver, Hume F. White, > > Wen-Yang Wu, Gaik B. Kok and Michael S. Pegg, A Study of the Active > Site > of Influenza Sialidase: An Approach to the Rational Design of Novel > Anti-Influenza Drugs. J. Med. Chem., 39, 388-391, (1995). > > Again, thanks for all of the responses! > > With best regards, > > Renxiao________________________________________________________ Dr Stefan T. Bromley Laboratory of Applied Organic Chemistry and Catalysis DelftChemTech, Delft University of Technology Julianalaan 136, 2628 BL Delft The Netherlands Phone : + 31 1527 89418 e-mail : S.T.Bromley<>tnw.tudelft.nl ________________________________________________________ From chemistry-request@ccl.net Fri Jan 30 09:23:11 2004 Received: from real.cyf-kr.edu.pl (real.cyf-kr.edu.pl [149.156.2.10]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0UEN9U6008294 for ; Fri, 30 Jan 2004 09:23:10 -0500 Received: from kinga.cyf-kr.edu.pl (kinga.cyf-kr.edu.pl [149.156.2.32]) by real.cyf-kr.edu.pl (8.11.6/8.11.6) with ESMTP id i0UEB9g28013 for ; Fri, 30 Jan 2004 15:11:09 +0100 X-RAV-AntiVirus: This e-mail has been scanned for viruses on host: real.cyf-kr.edu.pl Received: (from mykrol@localhost) by kinga.cyf-kr.edu.pl (8.9.3/8.9.3) id PAA15035; Fri, 30 Jan 2004 15:11:08 +0100 (MET) Date: Fri, 30 Jan 2004 15:11:07 +0100 (MET) From: Marcin Krol To: chemistry~at~ccl.net Subject: CHARMM res number overflow Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII 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 Dear CCL'ers I tried to perform energy minimization of a protein molecule immersed in a rectangular box of water molecules. The structure is after 1ns of MD. After SD started I got the message RESIDUE NUMBER OVERFLOW, even though I know it is impossible (I performed 1ns MD on exactly the same system and I minimized the structure at the begininnig of MD). The command coor orient helps a bit - I got this overflow message after a couple of minimization steps. There must be a problem with orienting water with respect to protein and/or image atoms. If you know how I could perform minimzation and what the problem actually is, please let me know. Thank you in advance marcin Dr Marcin Krol Zaklad Biostatystyki Collegium Medicum UJ Kopernika 7E 31-501 Krakow tel/fax (012) 422-77-64 From chemistry-request@ccl.net Fri Jan 30 09:55:19 2004 Received: from theory.phys.ucl.ac.uk (gallifrey.phys.ucl.ac.uk [128.40.5.210]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0UEtHU6009561 for ; Fri, 30 Jan 2004 09:55:18 -0500 Received: from jonny.phys.ucl.ac.uk (jonny.phys.ucl.ac.uk [128.40.5.13]) by theory.phys.ucl.ac.uk (8.12.9/8.12.8) with ESMTP id i0UF5wJJ095388 for ; Fri, 30 Jan 2004 15:05:58 GMT (envelope-from j.tennyson|at|ucl.ac.uk) Received: from localhost (jonny@localhost) by jonny.phys.ucl.ac.uk (8.11.6/8.11.2) with ESMTP id i0UEvKo22892 for ; Fri, 30 Jan 2004 14:57:20 GMT X-Authentication-Warning: jonny.phys.ucl.ac.uk: jonny owned process doing -bs Date: Fri, 30 Jan 2004 14:57:20 +0000 (GMT) From: Jonathan Tennyson X-X-Sender: jonny|at|jonny.phys.ucl.ac.uk To: chemistry|at|ccl.net Subject: CCP6 Booklet on "High Accuracy Potentials for Quantum Dynamics" Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=ISO-8859-1 Content-Transfer-Encoding: 8BIT 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 We recently organised a CCP1/CCP6/ChemReact Workshop at UCL on "High Accuracy Potentials for Quantum Dynamics" We have now produced a booklet containing short reviews by the Workshop participants, and single copies of this are available free of charge to interested researchers (until we run out). The booklet is intended as an "introductory guide" rather than as conference proceedings. Each invited speaker was asked to write a brief summary of their work in the field and to set in context, in a style that would be useful for researchers in related areas. Copies have already been sent out automatically to the Workshop participants and to everyone on the CCP6 Newsletter mailing list. If you are not in either of the above groups and you would like a copy, please email Christine Johnston Your email should include your _postal_ address in a format that can easily be cut-and-pasted onto an address label. ----------------------------------------------------------------------- High Accuracy Potentials for Quantum Dynamics" edited by Andrea Miani, Jonathan Tennyson and Tanja van Mourik published by CCP6, Daresbury, 2003. 107 pages ISBN 0-9545289-0-5 Contents: Ground-State Potential Energy Surfaces at the Focal Point Attila G. Cs`sz`r The Explicitly Correlated Coupled-Cluster Models CC2-R12 and CCSD(R12) Wim Klopper Exploiting Systematic Basis Set Convergence for Accurate Potential Energy Surfaces Kirk A. Peterson Relativistic, Quantum Electrodynamic and Electroweak Effects in Molecules H. M. Quiney The Role of Born-Oppenheimer Breakdown Terms in the Prediction of Accurate Transition Frequencies for Ordinary Molecules David~W. Schwenke The Asymptotic Regions of the Potential Energy Surfaces Relevant for the O(3P) + O2(X3Sigmag-) -O3 and O(3P) + OH(X2Pi) -O2(X3Sigmag-) + H(2S) Reactions Claire Gillery and Pavel Rosmus Two Exothermic Reactions in the {}``Lithium Chemistry'' Network: LiH+H -Li+H2 and LiH+ + H -Li+ +H2. A Comparison of Computed Potential Energy Surfaces. E. Bodo, R. Martinazzo and F. A. Gianturco Spectroscopic Determination of Ground and Excited State Potential Energy Surfaces. K. Ahmed, G. G. Balint-Kurti and C. M. Western > From Single- to Multi-Sheeted Potential Energy Surfaces: a Dual Strategy for Accurate Global Forms A. J. C. Varandas Adiabatic and Diabatic Intermolecular Potentials for Open-Shell Complexes and Their Applications. J. Klos, W. Zeimen, V. Lotrich, G. C. Groenenboom and A. van der Avoird Intermolecular Interaction Potentials Krzysztof Szalewicz Accurate Coupled-Cluster Potential Energy Surfaces: Large Calculations on Cyclopropenylidene Anharmonicities Timothy J. Lee and Christopher E. Dateo Vibrational Effects on Molecular Properties: the Dalton Approach Trygve Helgaker and Torgeir A. Ruden, Dan Jonsson, Kenneth Ruud, Peter R. Taylor and Per-Olof Astrand Subwavenumber Accuracy for the Ab Initio Rotation-Vibration Transitions of Water. Oleg Polyansky Analytical Energy Gradients for Internally Contracted Second-Order Multi-reference Perturbation Theory (CASPT2) Hans-Joachim Werner and Paolo Celani Model Hamiltonians for Accelerating Orbital Basis Convergence Peter J. Knowles ----------------------- Jonathan Tennyson, Department of Physics & Astronomy, mailto: j.tennyson|at|ucl.ac.uk University College London, Tel (work): +(44) 20 7679 7809 Gower Street, Tel (home): +(44) 20 8340 9225 London WC1E 6BT, UK Fax (if you must): +(44) 20 7679 7145 http://www.tampa.phys.ucl.ac.uk/jonny