From deguelle@telemann.scf.fundp.ac.be Wed May 11 04:53:23 1994 Received: from hermes.fundp.ac.be for deguelle@telemann.scf.fundp.ac.be by www.ccl.net (8.6.4/930601.1506) id EAA28792; Wed, 11 May 1994 04:52:31 -0400 Received: from telemann.scf.fundp.ac.be by hermes.fundp.ac.be; id AA08689; Wed, 11 May 1994 10:54:31 +0200 Received: by telemann.scf.fundp.ac.be (AIX 3.2/UCB 5.64/4.03) id AA20092; Wed, 11 May 1994 10:52:45 +0200 Date: Wed, 11 May 1994 10:52:45 +0200 From: Veronique Deguelle Message-Id: <9405110852.AA20092@telemann.scf.fundp.ac.be> To: CHEMISTRY@ccl.net Subject: Printing with BIOSYM Dear Netters, I would like to print some graphs created with the Analysis module of BIOSYM. In the User Guide, some informations are done about the inplot command . But this command is unknown by UNIX. My question is:what is the procedure to print a graph created with Analysis? Thank you in advance for your informations Veronique Deguelle e-mail:deguelle@scf.fundp.ac.be ******************************************* Veronique DEGUELLE Fac.Universitaires Notre-Dame de la Paix 61,rue de Bruxelles B-5000 NAMUR BELGIUM ******************************************* From mrigank@imtech.ernet.in Wed May 11 08:54:53 1994 Received: from sangam.ncst.ernet.in for mrigank@imtech.ernet.in by www.ccl.net (8.6.4/930601.1506) id IAA09632; Wed, 11 May 1994 08:29:15 -0400 Received: (from uucp@localhost) by sangam.ncst.ernet.in (8.6.8.1/8.6.6) with UUCP id RAA15119 for chemistry@ccl.net; Wed, 11 May 1994 17:58:52 +0530 Received: from imtech.UUCP by ern.doe.ernet.in (4.1/SMI-4.1-MHS-7.0) id AA14470; Wed, 11 May 94 17:45:16+0530 Message-Id: <9405111215.AA14470@ern.doe.ernet.in> Received: by imtech.ernet.in (DECUS UUCP w/Smail); Wed, 11 May 94 17:09:22 +0530 Date: Wed, 11 May 94 17:09:22 +0530 From: Mrigank To: chemistry@ccl.net Subject: GA and Protein Folding? X-Vms-Mail-To: CHEM,MRIGANK Hi I am interested in protein folding problkems using Genetic algorithms. I wish to know the follwoing from you all. 1. The references regarding use of GAs in biology/chemistry.[ i have scaned the CCL archives and pls. send later references] 2. Is there any software avialable in this field? [ couot find much in the archives] 3. Leading groups working in the area and willing to share some experience. Thanks in advance, Mrigank ---- Dr. Mrigank \/Phone +91 172 45004 x216, +91 172 44252 Institute of Microbial Technology /\Email: mrigank@imtech.ernet.in P O Box 1304, Sector 39A \/UUCP:...!uunet!sangam!vikram!imtech!mrigank Chandigarh 160 014 India. /\Fax +91 172 40985 or +91 172 603903 /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ -- When I feed the poor, they call me saint. When I ask why the poors do not have food, they call me communist - Archbishop Camaran From fuchs@chemdc1.tau.ac.il Wed May 11 10:55:33 1994 Received: from chemdc1.tau.ac.il for fuchs@chemdc1.tau.ac.il by www.ccl.net (8.6.4/930601.1506) id JAA12088; Wed, 11 May 1994 09:15:40 -0400 Received: by chemdc1.tau.ac.il (5.65/DEC-Ultrix/4.3) id AA18952; Wed, 11 May 1994 16:14:37 -0200 Date: Wed, 11 May 1994 16:14:37 -0200 From: fuchs@chemdc1.tau.ac.il (Benzion Fuchs) Message-Id: <9405111814.AA18952@chemdc1.tau.ac.il> To: chemistry@ccl.net Subject: Inquiry Hi there, I remember having seen on this channel a message concerning structure superposition methods (J. Leonard?). Was there any follow-up or synopsis? Would appreciate receiving it and any subsequent information. With computational regards, Benzion Fuchs N.B. Address and communication channels: Prof. Benzion Fuchs Tel.: (+972-3) 640-8623 /-8436 School of Chemistry (+972-3) 641-6791 (home). Tel-Aviv University FAX : (+972-3) 640-9293 Ramat-Aviv, 69978 Tel-Aviv ISRAEL E-mail: fuchs@chemdc1.tau.ac.il From janekr@gibbs.sfsu.edu Wed May 11 12:53:28 1994 Received: from gibbs.sfsu.edu for janekr@gibbs.sfsu.edu by www.ccl.net (8.6.4/930601.1506) id MAA24236; Wed, 11 May 1994 12:38:46 -0400 Received: by gibbs.sfsu.edu (4.1/SMI-4.0.1) id AA01732; Wed, 11 May 94 09:40:45 PDT Date: Wed, 11 May 94 09:40:45 PDT From: janekr@gibbs.SFSU.EDU (Richard Janek) Message-Id: <9405111640.AA01732@gibbs.sfsu.edu> To: CHEMISTRY@ccl.net Subject: Re: GA and GA and Protein Folding Hi, I have been using a Genetic Algorithm to optimize the variational parameters of Schrodinger equations for simple atomic systems invloving nonlinear terms in the wavefunction. Sergio Aragon and I will be preparing a manuscript this summer for publication. We have found the public domain software of John Grefenstette and Nicol Schrauldolph to be an adequate starting point for building a GA program. It is available via anonymous ftp from N. Schraudolph. The address is cs.ucsd.edu (132.239.51.3), directory pub/GAucsd. Best Regards, Richard Richard Janek San Francisco State University Department of Chemistry and Biochemistry Phone: (415) 338-7712 Email: janekr@gibbs.sfsu.edu From dok707@cvx12.inet.dkfz-heidelberg.de Wed May 11 14:53:34 1994 Received: from cvx12.inet.dkfz-heidelberg.de for dok707@cvx12.inet.dkfz-heidelberg.de by www.ccl.net (8.6.4/930601.1506) id OAA03355; Wed, 11 May 1994 14:31:34 -0400 Received: by cvx12.inet.dkfz-heidelberg.de id AA08667 (5.65c/IDA-1.4.4 for chemistry@ccl.net); Wed, 11 May 1994 20:31:17 +0200 Date: Wed, 11 May 1994 20:31:17 +0200 From: Frank Herrmann Message-Id: <199405111831.AA08667@cvx12.inet.dkfz-heidelberg.de> To: mrigank@imtech.ernet.in Cc: chemistry@ccl.net In-Reply-To: Mrigank's message of Wed, 11 May 94 17:09:22 +0530 <9405111215.AA14470@ern.doe.ernet.in> Subject: CCL:GA and Protein Folding? Hello, Below are some references (bibtex format) for using GA's as conformation search techniques. About one year ago there were a discussion on the CC-List including some references (search the archive). Public domain GA code is available at the site of the GA-List: - Send submissions to GA-List@AIC.NRL.NAVY.MIL - Send administrative requests to GA-List-Request@AIC.NRL.NAVY.MIL - anonymous ftp archive: FTP.AIC.NRL.NAVY.MIL (Info in /pub/galist/FTP) You may be also interested in the lists: ga-molecule@interval.com and evolutionary-computing@mailbase.ac.uk that had a low traffic so far. Regards -------------------------------------------------- Frank Herrmann, Dept. of Molecular Biophysics 0810 German Cancer Research Center Im Neuenheimer Feld 280, D-69120 Heidelberg Tel: (49) 6221-422336, FAX: (49) 6221-422333 email: F.Herrmann@dkfz-heidelberg.de ======================================== cut here ================================================== @article{photodimer, author={Marcel J. J. Blommers and Carlos B. Lucasius and Gerrit Kateman and Robert Kaptein}, title={Conformational Analysis of a Dinucleotide Photodimer with the Aid of the Genetic Algorithm}, journal={Biopolymers, Vol. 32, 45-52}, year=1992} @article{sidechains, author={P. Tuffery and C. Etchebest and S. Hazout and R. Lavery}, title={A New Approach to the Rapid Determination of Protein Side Chain Conformations}, journal={Journal of Biomolecular Structure \& Dynamics, Volume 8, Issue Number 6}, year=1991} @article{sidechains2, author={P. Tuffery and C. Etchebest and R. Lavery}, title={A Critical Comparison of Search Algorithms Applied to the Optimization of Protein Side-Chain Conformations}, @article{argos, author={Thomas Dandekar and Patrick Argos}, title={Potential of genetic algorithms in protein folding and protein engineering simulations}, journal={Protein Engineering vol. 5 no. 7}, pages={637-645}, year=1992} @article{teach, author={Richard S. Judson}, title={Teaching Polymers to fold}, journal={The Journal of Physical Chemistry, Vol. 96, No. 25}, year=1992} @article{grid, author={Ron Unger and John Moult}, title={genetic Algorithms for Protein Folding Simulations}, journal={Journal of Molecular Biology}, pages={75-81}, year=1993} @article{reduced, author={Shaojian Sun}, title={Reduced representation model of protein structure prediction: Statistical potential and genetic algorithms}, journal={Protein Science}, pages={762-785}, year=1993} @article{hartke, author={Bernd Hartke}, title={Global Geometry Optimization of Clusters Using Genetic Algorithms}, journal={Journal of Physical Chemistry, Vol. 97, No. 39}, pages={9973-9976}, year=1993} @article{smallmolga, author={R.S. Judson and E.P. Jaeger and A.M. Treasurywala and M.L. Peterson}, title={Conformational Searching Methods for Small Molecules. II. genetic Algorithm Approach}, journal={Journal of Computational Chemistry, Vol. 14, No. 11}, pages={1407-1414}, year=1993} @article{hexaglycine, author={D.B. McGarrah and R.S. Judson}, title={Analysis of the Genetic Algorithm Method of Molecular Conformation Determination}, journal={Journal of Computational Chemistry, Vol. 14, No. 11}, pages={1385-1395}, year=1993} @article{outperform, author={R.S. Judson and M.E. Colvin and J.C. Meza and A. Huffer and D. Gutierrez}, title={Do Intelligent Configuration Search Techniques Outperform Random Search for Large Molecules?}, journal={International Journal of Quantum Chemistry, Vol. 44}, pages={277-290}, year=1992} @article{clusters, author={Yongliang Xiao and Doanld E. Williams}, title={Genetic algorithm: a new approach to the prediction of the structure of molecular clusters}, journal={Chemical Physics Letters, Vol. 215, No. 1,2,3} year=1993} From mwd@carina.cray.com Wed May 11 15:55:02 1994 Received: from cray.com for mwd@carina.cray.com by www.ccl.net (8.6.4/930601.1506) id PAA14061; Wed, 11 May 1994 15:22:40 -0400 Received: from shamu (shamu.cray.com) by cray.com (Bob mailer 1.2) id AA00508; Wed, 11 May 94 14:22:26 CDT Received: by shamu id AA24936; 4.1/CRI-5.4; Wed, 11 May 94 14:22:25 CDT From: mwd@carina.cray.com (Mark Dalton) Message-Id: <9405111922.AA24936@shamu> Subject: Re: GA and Protein Folding? To: chemistry@ccl.net Date: Wed, 11 May 1994 14:22:21 -0500 (CDT) X-Mailer: ELM [version 2.4 PL23] Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 11276 This is from the News group comp.ai.genetic. One ftp/mosaic site to check is: alife.santafe.edu or sfi.santafe.edu.

Reasoning, Systems theory, Chaos and Artificial Intellegence

Subject: (fwd) Re: Genetic algorithms for Protein Folding - Request Newsgroups: comp.ai.genetic Status: RO Subject: Re: Genetic algorithms for Protein Folding - Request Date: 06 Apr 94 20:50:48 GMT Organization: Supercomputer Computations Research Institute Message-ID: References: <2nuuuj$cn0@gap.cco.caltech.edu> NNTP-Posting-Host: ibm1.scri.fsu.edu In-reply-to: heirich@cco.caltech.edu's message of 06 Apr 94 13:27:31 EST In article <2nuuuj$cn0@gap.cco.caltech.edu> heirich@cco.caltech.edu (Alan Bryant Heirich) writes: > Has anyone used genetic algorithms to solve the protein > folding problem for DNA? > > I'm interested in any published material -- thanks in advance. Here's a list of references, compiled by Melanie Mitchell, that I found very useful. From: mm@santafe.edu (Melanie Mitchell) To: ga-molecule@interval.com, GA-List@AIC.NRL.NAVY.MIL Subject: GAs and protein folding bibliography Date: Thu, 18 Nov 93 11:01:14 MST Thanks to all who responded to my query about GAs and protein folding. Here is a compiled list of citations I was sent on GAs and various aspects of protein folding and related areas. Many people expressed interest in this list, so if anyone has any additional citations to add, please post them to the list. Melanie Mitchell ------------------------------ Marcel J. J. Blommers, Carlos B. Lucasius, Gerrit Kateman and Robert Kaptein, Conformational Analysis of a Dinucleotide Photodimer with the Aid of the Genetic Algorithm, Biopolymers, Vol. 32, 45-52, (1992) Bouzida,D.,S.Jumar, and R.H.Swendsen, "A Simulated Aneeling Appproach for Probing Biomolecular Structures", 26th Hawaii International Conference on System Sciences, vol.I, IEEE, 1993 Cedeno, Walter. DNA restriction fragment map assembly with genetic algorithms. In Genetic Algorithms at Stanford 1993. Stanford, CA: Stanford University Bookstore. 1993. Clark, Jones, Willett, Glen and Kenny, Pharmacophoric Pattern Matching In Files Of Three-Dimensional Chemical Structures: Comparison Of Conformational-Searching Algorithms For Flexible Searching, Presented at the 3rd Int. conference on Chemical Structures, Journal of Chemical Information and Computer Sciences, (1993, in press). Thomas Dandekar and Patrick Argos, Potential of genetic algorithms in protein folding and protein engineering simulations, Protein Engineering 5(7), 637-645, (1992) David Eisenberg, Determining Protein Folds by Inverted and Evolutionary Protein Folding Algorithms", Proceedings of the North Caroline Symposium on Molecular Modeling: Integration of Theory and Experiment, Research Triangle Park, North Carolina,21-23, 1993. Fickett, James W. and Cinkosky, Michael J. A genetic algorithm for assembling chromosome physical maps. Unpublished draft 1993. E. Fontain, Application of Genetic Algorithms in the Field of Constitutional Similarity, J. Chem. Inf, Comput Sci, 32, 748-752, (1992) M. S. Freidrichs and P. G. Wolynes, Genetic algorithms for model biomolecular optimization problems. Unpublished manuscript. Noyes Lab., University of Illinois, Urbana, Il, 61801. S. Handley, Automated learning of a detector for helices in protein sequences via genetic programming. In S. Forrest (Ed.), Proceedings of the Fifth International Conference on Genetic Algorithms. Morgan Kaufmann, San Mateo, CA. 1993. Jones, Brown, Clark, Willett and Glen. Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic Algorithms, in Forest, S. ed., Proceedings of the Fifth International Conference on Genetic Algorithms, Morgan Kaufmann Publishers, San Mateo, CA (1993). Richard S. Judson, Teaching Polymers to fold, The Journal of Physical Chemistry, 96(25), 10102, (1992). R.S.Judson, M.E. Colvin, J.C.Meza, A.Huffer, and D.Gutierrez. Do intelligent configuration search techniques outperform random search for large molecules? International Journal of Quantum Chemistry, 44, 277-290, (1992). R.S. Judson, E. Jaeger, A. Treasurywala, Conformation searching methods for small molecules II: A Genetic algorithm approach, J.Comp.Chem. (1993, in press). Akihiko Konagaya, A stochastic approach to genetic information processing. Institute for New Generation Computer Technology, ICOT Technical Memorandom: TM-1263", May, 1993. Konagaya,A. and H.Kondo,"Stochastic Motif Extraction using a Genetic Algorithm with the MDL principle"., 26th Hawaii International Conference on System Sciences, vol.I, IEEE, 1993 S. LeGrand and K. Merz, The application of the Genetic Algorithm to the minimization of potential energy functions, J.Global Opt., (1992). Leopold,P.E. and E.I.Shakhnovich, "Protein Folding Kinetics in the Dense Phase", 26th Hawaii International Conference on System Sciences, vol.I, IEEE, 1993 Wolfgang Linert, Peter Margl and Istvan Lukovits, Numerical Minimization Procedures in molecular mechanics: structural modelling of the solvation of beta-cyclodextrin, Computers & Chem. 16(1), 61-69, (1992). C. B. Lucasius and G. Kateman, Application of genetic algorithms in chemometrics. In J. D. Schaffer (Ed.), Proceedings of the third international conference on genetic algorithms. Morgan Kaufmann, San Mateo, CA. 1989. D.B. McGarrah and R.S. Judson, An analysis of the genetic algorithm method of molecular conformation determination, J.Comp.Chem. (1993, in press). Platt,D.M. and T.I.Dix,"Construction of Restriction Maps Using a Genetic Algorithm", 26th Hawaii International Conference on System Sciences, vol.I, IEEE, 1993 S. Schulze-Kremer, Genetische Algorithmen zur Vorhersage von Proteintertiaerstrukturen, in Fortschritte der Simulation in Medizin, Biologie und Oekologie, (D.P.F. Moeller, O. Richter Hrsg.), Technische Universitaet Clausthal- Zellerfeld, Institut fuer Informatik, pp. 217-238, 1992. Steffen Schulze-Kremer, Genetic Algorithms in Biochemistry (GALB): Learning Protein Folding Pathways. In Joachim Stender (Ed.), Parallel Genetic Algorithms. IOS Press, Amsterdam. 1992. S. Schulze-Kremer, Genetic algorithms for protein tertiary structure prediction. In R. Manner and B. Manderick (Eds.), Parallel Problem Solving from Nature 2, pp. 391-400. North Holland, Amsterdam, 1992. S. Schulze-Kremer, U. Tiedemann, Genetic Algorithms for Protein Tertiary Structure Prediction, in Artificial Intelligence and Genome Workshop 26, (J.-G. Ganascia Ed.), International Joint Conference on Artificial Intelligence, Institut Blaise Pascal, Paris, pp. 119-141, 1993. S. Schulze-Kremer, U. Tiedemann, Parameterizing Genetic Algorithms for Protein Folding Simulation, to appear in the Proceedings of the 27th Hawaii International Conference on System Sciences, 1994. R.W. Smith, "Energy minimization in binary alloy models via genetic algorithms" Comput.Phys.Comm. 71, 134-146, (1992). Shaojian Sun, Reduced representation model of protein structure prediction: Statistical potential and genetic algorithms, Protein Science, 2, 762-785, (1993) Joachim Stender and Tom Addis, Using the Genetic Algorithm to Adapt Intelligent Systems. In Symbols versus Neurons?. IOS Press, Amsterdam, 1990. P. Tuffery and C. Etchebest and S. Hazout and R. Lavery, A New Approach to the Rapid Determination of Protein Side Chain Conformations, Journal of Biomolecular Structure & Dynamics, 8(6), 1267, (1991) P. Tuffery, C. Etchebest, S. Hazout, and R. Lavery, A Critical Comparison of Search Algorithms Applied to the Optimization of Protein Side-Chain Conformations, J. Comp. Chem. 14, 790-798, (1993). R. Unger and J. Moult, A genetic algorithm for 3D Protein Folding Simulations, In S. Forrest (Ed.), Proceedings of the Fifth International Conference on Genetic Algorithms, 581-588. Morgan Kaufmann, San Mateo, CA. 1993. Ron Unger and John Moult, Genetic Algorithms for Protein Folding Simulations, Journal of Molecular Biology, 231, 75-81, (1993). Unger,R. and J. Moult, "On the applicability of genetic algorithms to protein folding", 26th Hawaii International Conference on System Sciences, vol.I, IEEE, 1993 Jukka Vanhala and Kimmo Kaski, Protein folding simulation by genetic algorithms. In Risto Nieminen and Olle Teleman (Eds.), 7th Nordic Symposium on Computer Simulation, Espoo, Finland, 1993. R. Wehrens, C. Lucasius, L. Buydens, and G. Kateman, Sequential Assignment of 2D-NMR Spectra of Proteins Using Genetic Algorithms, J. Chem. Info. Comput. Sci. 33, 245-251 (1993). Y.L. Xiao and D.E. Williams, Genetic algorithm: a new approach to the prediction of the structure of molecular clusters, Chem. Phys. Let. (1993, in press) Y.L. Xiao and D.E. Williams, GAME: Genetic algorithm for minimization of energy, an interactive program for three-dimensional intermolecular interactions, Comput. & Chem, (submitted) D. C. Youvan and A. P. Arkin and M. M. Yang, Recursive ensemble mutagenesis - A combinatorial optimization technique for protein engineering. In R. Manner and B. Manderick (Eds.), Parallel Problem Solving from Nature 2. North Holland, Amsterdam, 1992. -- Kingsley F. Kerce (kerce@scri.fsu.edu) WWW: http://www.scri.fsu.edu/~kerce Supercomputer Computations Research Institute Florida State University Tallahassee, FL, USA 32306 DEEP THOUGHT: I'd rather be rich than stupid. -- Mark Dalton AUG-GCU-AGA-AAG H Cray Research, Inc. M A R K | Eagan, MN 55121 CH3-S-CH2-CH2-C-COOH Internet: mwd@cray.com | (612)683-3035 NH2 Marks Info/Resume Thoughts to ponder: Life is Paradox: one = many, many = one. Most difficult tasks are easy, it just depends on if you know the solution. All tasks are easy, it all depends on who you ask. From jkl@ccl.net Wed May 11 15:58:31 1994 Received: from krakow.ccl.net for jkl@ccl.net by www.ccl.net (8.6.4/930601.1506) id PAA25633; Wed, 11 May 1994 15:52:25 -0400 From: Jan Labanowski Received: from localhost for jkl@ccl.net by krakow.ccl.net (8.6.4/920428.1525) id PAA06440; Wed, 11 May 1994 15:52:24 -0400 Date: Wed, 11 May 1994 15:52:24 -0400 Message-Id: <199405111952.PAA06440@krakow.ccl.net> To: chemistry@ccl.net Subject: Conference: Combustion, Environment, and Heating Technology Cc: jkl@ccl.net, cjohnson@ccl.net, moti@ccl.net Combustion, Environment, and Heating Technology -- The Role of High Performance Simulation October 6-7, 1994 Ohio Supercomputer Center Columbus, Ohio - A meeting sponsored by the IEEE Computer Society (Scientific Supercomputing Subcommittee) and the Society of Industrial and Applied Mathematics (SIAM) Activity Group on Supercomputing. CALL FOR PAPERS In light of the emerging advances in combustion technology and its benefit to United States industry and science, the Program for Computational Reactive Mechanics (PCRM) at the Ohio Supercomputer Center has organized this meeting in Columbus, Ohio, on October 6- 7, 1994. Nationally recognized participants from academia, industry, and national laboratories will report on the state of the art in combustion technology, heating equipment technology, environmental impact of combustion, and advances in high performance computing. The participants will share ideas and explore the role of high performance simulation to advance the technology for combustion, environment, and heating. +++ A Preliminary Program +++ Topics for the meeting include but not limited to: -- High Performance Computing -- Computing Reactive Flows on High Performance Computers -- Computing Combustion Kinetics on High Performance Computers -- Computing Energy Transport on High Performance Computers -- High Performance Simulations for Heating Equipments (Furnaces) -- New Combustion Technologies -- Two sessions for contributed presentations in oral and poster format. +++ A partial list of invited speakers: 1. Dr. Martha A. Krebs, Director, Office of Energy Research 2. C. W. Garret, DOE Fossil Energy 3. Don Hardesty, Sandia Combustion Lab 4. L.A. Ruth, Pittsburgh Energy Technology Center 5. Tom O' Brien, Morgantown Energy Technology Center 6. P. J. Smith, U of Utah 7. R.H Essenhigh, The Ohio State University 8. C.W. Westbrook, Lawrence Livermore National Lab 9. Bernie Alder, Lawrence Livermore National Lab 10. Dr. W.A. Fiveland, Babcock & Wilcox 11. Software Vendors for Reactive Mechanics (Exhibition) Selected papers will be considered for publication in The Journal of Supercomputing. Abstracts and highlights of presentations will be available, in both hardcopy and electronic versions, to attendees and the combustion community. The Ohio Supercomputer Center will archive the proceedings on its information server for easy electronic retrieval from around the globe. Announcements of this meeting and its results will be posted to appropriate news groups and organizations. +++ Who should attend and participate: Combustion scientists and engineers, computational and computer scientists, environmentalists, managers and R&D personnel in the industry and government, and faculty, researchers, and students from academia who are interested in high performance simulations of reactive processes. +++ Background Industrial productivity and product quality of our nation rely upon available clean energy. Combustion provides 91 percent of the useful energy and we use 75 percent of the energy for heating operations in industry. Pollutants from combustion are responsible for a major portion of environmentally deleterious atmospheric compounds in the form of NOx, SOx, COx, soot, and other incombustible metallic and non-metallic compounds. U.S. industries need to place a high priority on energy use efficiency, productivity, and product quality. Incorporating new designs and technologies, or commercial scale retrofits requires detailed and comprehensive performance analyses of new technologies. High performance computing simulations with mega- and teraflops computing will be useful in evaluating the impact of new designs of combustion and heating equipment on productivity and the environment. Successful computer modeling on smaller computing architectures has paved the way for these applications to progress to supercomputing environments. High performance computing will afford detailed and comprehensive analyses for industry to make the decisions for new technologies. +++ How to Contribute: Contributed presentations in poster format are invited in areas consistent with the conference theme. A 1-page abstract typed single-spaced on 8-1/2" x 11" bond paper must be submitted, including title of presentation, author(s) names and affiliations, postal and e-mail addresses, telephone and fax numbers. In a poster format, presentation materials are displayed using 8-1/2" x 11" sheets mounted on a standard poster board (22" x 28"). Poster boards will be available at the conference. +++ Electronic Mail Response and Submission: If you prefer, you may respond to this call for papers and/or submit your one-page abstract by electronic mail to "pcrm@ccl.net". An ASCII version of the reply card is included in this message, available by anonymous ftp >from "ftp.ccl.net" in the directory "/pub/pcrm", or through the PCRM Mosaic Server (URL: http://www.ccl.net/pcrm.html). You may submit abstracts in hard copy if you wish. Mail it to: PCRM Attention Cheryl Johnson, Conference Coordinator Ohio Supercomputer Center 1224 Kinnear Road Columbus, OH 43212-1163. You may also fax your submission to (614) 292-7168, attention Cheryl Johnson, Conference Coordinator. +++ TIMELINE: July 31, 1994: Deadline for Abstract submission August 1, 1994: Conference Registration Materials available August 31, 1994: Abstract Selection Completed September 23, 1994: Early Registration Deadline October 6-7, 1994: Conference in Columbus, Ohio, on the campus of The Ohio State University For up-to-date information for all of PCRM's upcoming conference information, point your Mosaic client to: http://www.ccl.net/pcrm.html. To call for information: Dr. Moti Mittal, 614-292-9248 ######################################################## RESPONSE FORM ######################################################## ++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Combustion, Environment, and Heating Technology -- The Role of High Performance Simulation October 6-7, 1994 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++ _____ I am interested in giving a contributed presentation. Enclosed is a one-page abstract. The enclosed abstract relates to this topic: ______________________________ _____ I am interested in attending the conference. Please send registration materials when available. Last Name:____________________________________________ First Name/Middle Initial:____________________________ Title:________________________________________________ Organization:_________________________________________ Department:___________________________________________ Address:______________________________________________ City:_________________________________________________ State:________________________________________________ Zip:_______________________ Telephone:_________________ Fax:_______________________ e-mail:_______________________________________________ ######################################################## return to: pcrm@ccl.net Cheryl Johnson, Conference Coordinator 614-292-9248 614-292-7168 - fax cjohnson@ccl.net From SATYAM@vms.cis.pitt.edu Wed May 11 17:53:32 1994 Received: from VM2.CIS.PITT.EDU for SATYAM@vms.cis.pitt.edu by www.ccl.net (8.6.4/930601.1506) id RAA03074; Wed, 11 May 1994 17:20:30 -0400 From: Received: from vms.cis.pitt.edu by vms.cis.pitt.edu (PMDF V4.2-14 #4065) id <01HC7YIT69O0E7YUM9@vms.cis.pitt.edu>; Wed, 11 May 1994 17:20:23 EST Date: Wed, 11 May 1994 17:20:23 -0500 (EST) Subject: Many particle in a box problem... To: chemistry@ccl.net Message-id: <01HC7YIT69O2E7YUM9@vms.cis.pitt.edu> X-Envelope-to: chemistry@ccl.net X-VMS-To: IN%"chemistry@ccl.net" MIME-version: 1.0 Content-transfer-encoding: 7BIT Dear Netters, Particle in box (1D; 2D; champange bottle etc) are known..are there any references/pointers to particleS in such boxes. Thanks satyam