From raman@bioc01.uthscsa.edu Thu Feb 3 00:46:38 1994 Received: from thorin.uthscsa.edu for raman@bioc01.uthscsa.edu by www.ccl.net (8.6.4/930601.1506) id AAA12352; Thu, 3 Feb 1994 00:06:28 -0500 Received: from bioc01.uthscsa.edu by thorin.uthscsa.edu with SMTP; Wed, 2 Feb 1994 23:07:19 -0600 (CST) Received: by bioc01.uthscsa.edu (4.1/SMI-4.1) id AA19382; Wed, 2 Feb 94 23:06:57 CST From: raman@bioc01.uthscsa.edu (C.S.RAMAN) Message-Id: <9402030506.AA19382@bioc01.uthscsa.edu> Subject: Brownian Motion / Random Walk To: chemistry@ccl.net Date: Wed, 2 Feb 1994 23:06:56 -0600 (CST) X-Mailer: ELM [version 2.4 PL3] Content-Type: text Content-Length: 1188 Dear Netters: Are you aware of public domain/commercial programs for simulating Random Walk in 3 dimensions? I am interested in the phenomenon of gel sieving and would like to simulate the same by using latex spheres. We already have quite a bit of experimental data and would like to compare them with theoretical predictions. I would prefer the code to run on SGI platforms with graphics capabilities (if possible). Cheers -raman -- C.S.Raman raman@bioc01.uthscsa.edu - Internet UNIX Programming & Administration 70412.2354@compuserve.com - CIS SPARC & SGI Systems raman@hermes.chpc.utexas.edu - CHPC Department of Biochemistry c.raman@launchpad.unc.edu UTHSCSA 7703 Floyd Curl Dr. (210) 567-6623 [Tel] San Antonio, TX 78284-7760 (210) 567-6595 [Fax] ****************************************************************************** If a man's wit be wandering, let him study the Mathematics -Francis Bacon ****************************************************************************** From sam@ncsa.uiuc.edu Thu Feb 3 09:46:47 1994 Received: from newton.ncsa.uiuc.edu for sam@ncsa.uiuc.edu by www.ccl.net (8.6.4/930601.1506) id JAA14891; Thu, 3 Feb 1994 09:18:16 -0500 Received: from landrew.ncsa.uiuc.edu by newton.ncsa.uiuc.edu with SMTP id AA09813 (5.65a/IDA-1.4.2 for chemistry@ccl.net); Thu, 3 Feb 94 08:18:13 -0600 Received: by landrew.ncsa.uiuc.edu (4.1/NCSA-4.1) id AA05017; Thu, 3 Feb 94 08:18:11 CST Date: Thu, 3 Feb 94 08:18:11 CST From: sam@ncsa.uiuc.edu (Sam Milosevich) Message-Id: <9402031418.AA05017@landrew.ncsa.uiuc.edu> To: 100012.1163@CompuServe.COM, chemistry@ccl.net Subject: Re: CCL:Electronic Publishing >From chemistry-request@ccl.net Tue Feb 1 22:49:11 1994 >From: "Rainer Stumpe 100012,1163" <100012.1163@CompuServe.COM> >Date: 01 Feb 94 15:14:41 EST > >Can e-publishing lower the cost of information? Well, should >it? ... >All what e-publishing >will do is shift the number of people working in an established >industry to an emerging industry. ... >So, I do not believe information will become >less expensive in the end. > >I am convinced commercial publishers >will survive, because they have something to add to the whole >information process. And that is not just layout and promotion. >That profession would otherwise not have survived for 200 >years. I agree. Computing technology RARELY DECREASES COST of anything (least of all, the price of information); however, it MAY ADD VALUE. If e-publishing does nothing but simply replace publishing, then forget it. If e-publishing provides new capabilities which are worth the cost, then do it. Indeed, it is a matter of economics. As you say, publishing has evolved over the centuries, and must continue to evolve. Who was it that said, "Change is inevitable; growth is optional"? ---Sam * Sam Milosevich, PhD; Computational Sci. App's Group Leader * * Comp.Chem & Molecular Structure Research; Eli Lilly and Co * * Lilly Corporate Center; Indianapolis, Indiana 46285 USA * * Phone: +1-317-276-9118; FAX:+1-317-276-5431 (attn: Sam) * * E-mail: sam@uiuc.edu (c/o NCSA Partners), sam@lilly.com * * X.400: G=Samuel; S=Milosevich; P=Lilly; A=ATTmail; C=US; * From schinke@biochemtech.uni-halle.d400.de Thu Feb 3 09:51:18 1994 Received: from ixgate01.dfnrelay.d400.de for schinke@biochemtech.uni-halle.d400.de by www.ccl.net (8.6.4/930601.1506) id JAA14963; Thu, 3 Feb 1994 09:25:41 -0500 From: Received: from ixgate02.dfnrelay.d400.de by ixgate01.dfnrelay.d400.de with SMTP (PP); Thu, 3 Feb 1994 14:47:22 +0100 X400-Received: by mta d400relay in /PRMD=dfnrelay/ADMD=d400/C=de/; Relayed; Thu, 3 Feb 1994 14:44:05 +0100 X400-Received: by /PRMD=UNI-HALLE/ADMD=D400/C=DE/; Relayed; Thu, 3 Feb 1994 14:42:41 +0100 Date: Thu, 3 Feb 1994 14:42:41 +0100 X400-Originator: schinke@biochemtech.uni-halle.d400.de X400-Recipients: non-disclosure:; X400-MTS-Identifier: [/PRMD=UNI-HALLE/ADMD=D400/C=DE/;mlumta1061940203144241-Bxr] X400-Content-Type: P2-1984 (2) Message-ID: <940203144240*/S=schinke/OU=biochemtech/PRMD=UNI-HALLE/ADMD=D400/C=DE/@MHS> To: chemistry@oscsunb.ccl.net, dibug@comp.bioz.unibas.ch, sybyl@quant.chem.rpi.edu Subject: PDB-entry and nmr-constraint-file Dear Proteinmodellers, can anybody help with a protein-NMR-constraint-file? The following is my problem: I do some molecular modelling studies on the protein 3CTI, using the structure available in the brookhaven protein data bank. Also available are the NMR-constraints for this dataset, unfortunately in a format I dont't understand ("extended version of X-PLOR"). But to reduce the computation time I want use this constraint file. Is there any possibility to use this file with the programs SYBYL or INSIGHT? Or are there any other programs available, knowing this fileformat? Or the best way: Is there anybody in the world using X-PLOR AND SYBYL/NMRI or INSIGHT and could please convert the pdb-file + the constraint-file in a format readable by SYBYL or Insight? If any of the authors of this structure (M. Nilges, J. Habazettl, A. T. Bruenger, T. A. Holak) read this mail, please is this constraint-file available in any other format? Any help is greatly appreciated. Thank you very much. With best regards, H. Schinke =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= =-= Heiko Schinke =-= =-= Martin-Luther-University, Dept. of Biochemistry/Biotechnology =-= =-= P. O. Box 8, D-06099 Halle/Saale, Germany =-= =-= =-= =-= Phone: ++49/345/617242 FAX: ++49/345/647161 =-= =-= =-= =-= E-Mail: schinke@biochemtech.uni-halle.d400.de =-= =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= From proctor!mvl.pg.com!LAIDIG_WD@ms.uky.edu Thu Feb 3 11:46:50 1994 Received: from mozart.ms.uky.edu for proctor!mvl.pg.com!LAIDIG_WD@ms.uky.edu by www.ccl.net (8.6.4/930601.1506) id LAA16090; Thu, 3 Feb 1994 11:18:08 -0500 From: Received: from s.ms.uky.edu by mozart.ms.uky.edu id aa28159; 3 Feb 94 10:42 EST Received: by mvl.pg.com (UUPC/extended 1.11q); Thu, 03 Feb 1994 10:37:53 est Sender: Postmaster Message-ID: <2d511a52.proctor@mvl.pg.com> Date: 3 Feb 94 10:03:00 EDT To: chemistry@ccl.net To: procter!LAIDIG_WD@ms.uky.edu Subject: Summary: Male/female ratio of computational chemists Dear netters, A few days ago I asked if anyone had any hard numbers on the male/female ratio of computational chemists. Thanks to everyone who responded. I received several responses from individuals or small labs, but since the total sample was less than 10, I will not summarize these responses. I did get one response from CCL about a larger sample which I have appended below. Additionally, one of my coworkers contacted a source at a headhunting/consulting firm specializing in the computational chemistry market and they provided these rough figures from their extensive database: 95/5% M/F in industry 92/8% MF in industry plus academia 90/10% M/F if BS & MS personnel are included. Again, thanks to everyone who responded. Bill Laidig --- Summary --------------------------- I am the secretary for the Computers in Chemistry division of the ACS. Every year we get a break-down of our division members by sex, education, primary field, etc. I don't have the one for 1993 yet, but in 1992, there were 331 women versus 1757 men, of 2121 members. These are not all strictly computational chemists - in fact only 1798 claim to be chemists and only 381 list Computing as their primary field in chemistry - so I'm not sure if this is information pertinent to your question, but there it is. -- Kate Holloway Merck Research Labs. -------------------------------------- From jkl@ccl.net Thu Feb 3 12:46:49 1994 Received: from krakow.ccl.net for jkl@ccl.net by www.ccl.net (8.6.4/930601.1506) id MAA16719; Thu, 3 Feb 1994 12:02:40 -0500 From: Jan Labanowski Received: from localhost for jkl@ccl.net by krakow.ccl.net (8.6.4/920428.1525) id MAA08495; Thu, 3 Feb 1994 12:02:40 -0500 Date: Thu, 3 Feb 1994 12:02:40 -0500 Message-Id: <199402031702.MAA08495@krakow.ccl.net> To: chemistry@ccl.net Subject: Conference Digest Forwarding: Mail from 'Robby Berry ' dated: Thu, 3 Feb 1994 11:37:19 -0500 Cc: jkl@ccl.net Dear CCLers, This is a digest of conferences in the area of Computational Chemistry and related fields. The complete file with descriptions, registration forms, etc (what was available) resides in CCL archives. This file is constantly updated as new material becomes available. If you have info on other conferences which are not listed here, or you want to modify the existing entries, please send it to me and I will place it in the file. Thank you in advance for your cooperation. You can retrieve it via anonymous ftp or gopher from www.ccl.net as /pub/chemistry/info/conferences or you can get it via e-mail by sending a message: select chemistry limit 300kb size 60k ls cd info ls get conferences quit to MAILSERV@ccl.net Jan Labanowski The Watchdog jkl@ccl.net --------------------------------------------------- Name: Recent Advances In Biopharmaceutical Compound Design Date: Feb. 10 and 11, 1994 Where: LaJolla, CA (the 10th) and San Francisco, CA (the 11th) Name: 7th Latin American School On Theoretical Chemistry. Date: Feb. 20-26, 1994 Where: La Plata, Argentina Name: Fourth Biennial Workshop On Molecular Mechanics And Molecular Dynamics Date: Feb. 21-25, 1994 Where: Tallahassee, Florida Name: Molecular Mechanics and Molecular Dynamics 1994 Date: Feb. 22-25, 1994 Where: Tallahassee, Florida Name: Daylight User Group Meeting: MUG '94 Date: Mar. 8-11 Where: Santa Fe, NM Name: 207th American Chemical Society Meeting Date: Mar. 13-18, 1994 Where: San Diego, CA Name: Scientific Computing In Der Theoretischen Physik Date: Mar. 16-18, 1994 Where: Berlin, Germany Name: Lock & Key Date: Apr. 15-16, 1994 Where: Zurich, Switzerland Name: First World Congress On Computational Medicine, Public Health, And Biotechnology Date: Apr. 24-28, 1994 Where: Austin, TX Name: Introduction To Gaussian: Theory And Practice Date: Apr. 26-29, 1994 Where: Research Triangle Park, NC Name: 15th Annual West Coast Theoretical Chemistry Conference Date: Apr. 27-29, 1994 Where: Livermore, California Name: AVS '94 International User Group Conference Date: May 2-4, 1994 Where: Boston, MA Name: 2nd Canadian Computational Chemistry Conference Date: May 21-25, 1994 Where: Kingston, Ontario, Canada Name: First European Conference On Computational Chemistry Date: May 21-27, 1994 Where: Nancy, France Name: Nucleic Acid And Protein Sequence Analysis Workshop For Biomedical Researchers Date: May 29-June 3, 1994 Where: Pittsburgh, Pennsylvania Name: Thirty Years Of Density Functional Theory: Concepts And Applications Date: June 13-16, 1994 Where: Cracow, Poland Name: Molecular Modeling In Genetic And Protein Engineering Date: June 15-18, 1994 Where: Sapron, Hungary Name: 8th International Congress Of Quantum Chemistry Date: June 19-23, 1994 Where: Prague, Czech Republic Name: Workshop On Computational Methods For Large Molecular Systems Date: June 25-26, 1994 Where: Wroclaw, Poland Name: 10th International Symposium On Surfactants In Solution Date: June 26-30, 1994 Where: Caracas, Venezuela Name: Quantumchemical Aspects Of Heterogenous Catalysis Date: June 26-28, 1994 Where: Berlin, Germany Name: Computers In Chemistry '94 Date: July 23-26, 1994 Where: Wroclaw, Poland Name: Tenth International Conference On Photochemical Conversion And Storage Of Solar Energy Date: July 24-29, 1994 Where: Interlaken, Switzerland Name: The Third International Conference For Systems Integration Date: July 3-Aug. 6, 1994 Where: Sao Paulo City, Brazil Name: Relativistic Effects In Heavy-Element Chemistry And Physics Date: Aug. 8-9, 1994 Where: Helsinki, Finland Name: Physics Computing '94: The 6th Joint EPS-APS International Conference On Physics Computing Date: Aug. 22-26, 1994 Where: Lugano, Switzerland Name: European Structure-Activity Date: Sept. 4-9, 1994 Where: Barcelona, Spain Name: CONPAR 94 - VAPP VI Date: Sept. 6-8, 1994 Where: Linz, Austria Name: European Science Foundation Research Conference On Theorical Models Of Chemical Reactivity: Modelling Photochemical Reactivity Date: Sept. 8-13, 1994 Where: San Feliu de Guixols, Spain Name: International Symposium On Molecular Reaction Mechanisms Involving Transition Metals Date: Oct. 25-30, 1994 Where: Florence, Italy Name: NMR As A Structural Tool For Macromolecules: Current Status And Future Directions Date: Oct. 30-Nov. 1, 1994 Where: Indianapolis, Indiana Name: (unknown, sponsored by the Federation of Asian Chemical Societies and the Federation of European Chemical Societies, on drug design and computational chemistry) Date: Dec. 17-21, 1994 Where: Kuala Lumpur Name: (unknown, sponsored by US and European Molecular Graphics Societies, and the Royal Australian Chemical Institute, on molecular design) Date: June or July, 1995 (exact dates to be announced) Where: Queensland, Australia From adfernan@sciborg.uwaterloo.ca Thu Feb 3 13:46:47 1994 Received: from sciborg.uwaterloo.ca for adfernan@sciborg.uwaterloo.ca by www.ccl.net (8.6.4/930601.1506) id NAA17386; Thu, 3 Feb 1994 13:39:49 -0500 Received: by sciborg.uwaterloo.ca id ; Thu, 3 Feb 94 13:38:21 -0500 Date: Thu, 3 Feb 94 13:38:21 -0500 From: Andrew Fernandes Message-Id: <9402031838.AA15273@sciborg.uwaterloo.ca> To: chemistry@ccl.net Subject: Looking for Bernard Delley or Jan Andzelm Could someone please be able to send me the email address of Bernard Delley and/or Jan Andzelm? They are not listed on infomeister, nor could an hour of gopher hunting scare up their email locations. Thank you, -Andrew. (adfernan@uwaterloo.ca) From WILLIAMS%XRAY2@ULKYVX.LOUISVILLE.EDU Thu Feb 3 14:47:35 1994 Received: from ulkyvx.louisville.edu for WILLIAMS%XRAY2@ULKYVX.LOUISVILLE.EDU by www.ccl.net (8.6.4/930601.1506) id OAA17828; Thu, 3 Feb 1994 14:23:32 -0500 From: Received: from DECNET-MAIL (WILLIAMS@XRAY2) by ULKYVX.LOUISVILLE.EDU (PMDF V4.2-11 #3949) id <01H8GA1EHRJ48WXIBT@ULKYVX.LOUISVILLE.EDU>; Thu, 3 Feb 1994 14:21:38 EST Date: Thu, 03 Feb 1994 14:21:38 -0500 (EST) Subject: Deprioritizing SGI unix runs To: chemistry@ccl.net Message-id: <01H8GA1EJWOY8WXIBT@ULKYVX.LOUISVILLE.EDU> X-VMS-To: ULKYVX::IN%"chemistry@ccl.net" X-VMS-Cc: WILLIAMS MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT I recall that there was a message over the net about something better than "nice" (which hardly works at all). Can anyone tell me how to keep background jobs from slowing foreground jobs to a crawl? Thanks. Don Williams dewill01@ulkyvx.louisville.edu From Christoph.Niedermeier@Physik.Uni-Muenchen.DE Thu Feb 3 14:49:14 1994 Received: from nirvana.imo.physik.uni-muenchen.de for Christoph.Niedermeier@Physik.Uni-Muenchen.DE by www.ccl.net (8.6.4/930601.1506) id OAA17692; Thu, 3 Feb 1994 14:07:13 -0500 From: Received: from hegel.imo.physik.uni-muenchen.de by nirvana.imo.physik.uni-muenchen.de with SMTP id AA04787 (5.67b/IDA-1.5 for ); Thu, 3 Feb 1994 19:51:26 +0100 Received: by hegel.imo.physik.uni-muenchen.de (4.1/SMI-4.1) id AA06230; Thu, 3 Feb 94 19:47:21 +0100 Message-Id: <9402031847.AA06230@hegel.imo.physik.uni-muenchen.de> Subject: GROMOS To: chemistry@ccl.net (Chemistry mailing list) Date: Thu, 3 Feb 94 19:47:20 MET X-Mailer: ELM [version 2.3 PL11] Hi netters, I am looking for information about the treatment of long range electrostatic interactions in the MD program GROMOS. Does anyone of you know whether GROMOS contains an implementation of the Fast Multipole Method (FMM) or any other hierarchical multipol algorithm? If so, could you please give me some references about the method used and about its implementation. Thank you a lot, Chris -- Christoph Niedermeier -- Theoretische Biophysik -- Institut fuer medizinische Optik -- Ludwig-Maximilians-Universitaet Muenchen -- __o Theresienstrasse 37 -- D-80333 Muenchen -- Germany _`\<,_ phone: ++49-89/2394-4580, fax: ++49-89/2394-4607 (_)/ (_) email: Christoph.Niedermeier@Physik.Uni-Muenchen.DE ~~~~~~~~~~~ From casida@CHIMCN.UMontreal.CA Thu Feb 3 17:46:50 1994 Received: from condor.CC.UMontreal.CA for casida@CHIMCN.UMontreal.CA by www.ccl.net (8.6.4/930601.1506) id QAA19746; Thu, 3 Feb 1994 16:53:56 -0500 Received: from chims1.CHIMCN.UMontreal.CA by condor.CC.UMontreal.CA with SMTP id AA12416 (5.65c/IDA-1.4.4 for CHEMISTRY@ccl.net); Thu, 3 Feb 1994 16:51:15 -0500 Received: by chims1.CHIMCN.UMontreal.CA (930416.SGI/5.17) id AA12686; Thu, 3 Feb 94 16:50:05 -0500 From: casida@CHIMCN.UMontreal.CA (Casida Mark) Message-Id: <9402032150.AA12686@chims1.CHIMCN.UMontreal.CA> Subject: nato-asi (fwd) To: CHEMISTRY@ccl.net Date: Thu, 3 Feb 1994 16:50:04 -0500 (EST) Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 7644 Forwarded message: > From RUSSO@fis.unical.it Thu Feb 3 12:25:22 1994 > Date: Thu, 3 Feb 1994 18:31:58 +0100 (WET) > From: RUSSO@fis.unical.it > Message-Id: <940203183158.2021833f@FIS.UNICAL.IT> > Subject: nato-asi > To: casida@CHIMCN.UMontreal.CA > X-Vmsmail-To: GMAIL::"casida@chimcn.umontreal.ca" > > Please post and/or circulate by e-mail or fax to anyone who might be interested > =============================================================================== > METAL-LIGAND INTERACTIONS - STRUCTURE AND REACTIVITY > > A NATO ADVANCED STUDY INSTITUTE > September 4-16,1994 > Grand Hotel San Michele, Cetraro, Calabria, ITALY > =============================================================================== > ORGANIZING COMMITTEE LOCAL COMMITTEE > Dennis Salahub (Montreal, Canada) Marirosa Toscano (Cosenza, Italy) > Nino Russo (Cosenza, Italy) Franca Mele (Cosenza, Italy) > Julius Jellinek (Boston, USA) Francesco Neve (Cosenza, Italy) > Martin Moskovits (Toronto, Canada) Mauro Ghedini (Cosenza, Italy) > Ha-Jo Freund (Bochum, Germany) Giovanni De Munno (Cosenza, Italy) > > Director > Nino Russo (Cosenza, Italy) > =============================================================================== > OBJECTIVES: > > The goal of the ASI is to promote interactions amongst theorists and > experimentalists in the several fields which deal with metal-ligand > interactions (inorganic and organometallic chemistry, cluster science, surface > science, catalysis) and to expose young researchers at an early stage of their > career to the several conceptual frameworks that currently contribute to the > area. The fundamental concern of the ASI will be the nature of the > microscopic interactions between metal atoms (clusters, surfaces) and > ligands (atoms, molecules, adsorbates, reagents, products) and the changes in > these interactions during physical and chemical transformations. > > TOPICS AND LECTURERS: > > Ab Initio Theory: > K. Morokuma (Emory University, USA) > V. Staemmler (University of Bochum, Germany) > > Density Functional Theory: > N. Russo (Universita della Calabria, Italy) > D.R. Salahub(Universite de Montreal, Canada) > > Semi-empirical Theory: > M. Mingos (Imperial College, UK) > M.C. Zerner (University of Florida, USA) > > Complexes > P. Braunstein (Universty of Strasburg, France) > R.J. Puddephatt (University of Western Ontario, Canada) > > Clusters: > P. Armantrout (University of Utah, USA) > P. Hackett (Ottawa, Canada) > M. Moskovits (University of Toronto, Canada) > > Surfaces: > S. Ceyer (MIT, Cambridge, USA) > H.J. Freund (University of Bochum, Germany) > > Catalysis: > D.W. Goodman (Texas A& M University, USA) > G.M. Zhidomirov (Novosibirsk, Russia) > > SPECIAL RESEARCH SEMINARS AND POSTER SESSIONS: > In addition to the lectures, ample time will be reserved > for a series of special research seminars (45+15 minutes talk), poster sessions, > round tables, computer simulations, tutorials and informal discussions. > > GENERAL INFORMATION > > A NATO ASI is an international "summer school". Lectures are aimed > at the postdoctoral level. The ASI students may be senior graduate students, > postdoctoral fellows, university faculty members, government or industrial > researchers. Attendance will be limited to about 80 students chosen on the > basis of their interest and contributions to the subject area, the potential > benefit to them and to the ASI from their attendance, and so as to achieve a > balance of nationalities. > > Tuition: There will be no tuition fees for participants from academic > institutions. Participants from industry will be asked to pay a tuition fee of > $US 300 or, better, to have their companies make a more substantial > contribution to the school (with appropriate recognition in the program and > publication). > > Room and Board: Lodging will be at the Grand Hotel San Michele. With > only a few exceptions, rooms will be assigned double occupancy. The cost of > room and full board for the 12 nights is 1 100 000 Italian Lire (about $US 850). > It is hoped that participants' institutions will cover most or all of the living > expenses. However, the grant from NATO and other support should allow > significant subsidies to those who would otherwise be unable to attend. > > Travel support: There is a possibility of limited travel support for > those who would otherwise be unable to attend. > > Site: The meeting will take place at the Grand Hotel San Michele in > Cetraro, Calabria, a beautiful hotel on the sea with all conveniences, a private > beach, and a well-earned reputation for their meals. The closest airport is at > Lamezia about an hour's flight south of Rome. A bus service will be > arranged from Lamezia to the ASI site, with stops at Paola for those who > arrive by train (4 hours from Naples; Naples is 2 hours by train from Rome). > Cars may be rented at Lamezia. Besides the breathtaking beaches, mountains and > sea-scapes, a short trip may be made to Reggio Calabria(an hour and a half by car) > and the famous archaeologicalmuseum (the Riaci bronzes are nothing short of magnificent) > and a short boat ride from there to Sicily or the Aeolian Islands with their active > volcanoes and more superb beaches. > > APPLICATION: > There is no special application form. > Those wishing to attend should send a letter by normal mail or, better, > by fax or electronic mail. This should specify: > i) date and place of birth, together with present nationality > ii) academic qualifications > iii) present position and place of work > iv) a BRIEF statement of ongoing research and publications > relevant to the theme of the ASI > v) number of publications and a (1-PAGE MAX.) list of the most > recent or most important > vi) students and postdocs should also have sent a brief letter > from their research director supporting their attendance > vii) those requesting financial aid should state how much and > provide a brief justification. > > THE CLOSING DATE FOR APPLICATIONS IS MAY 30,1994. > After that date, applications will be reviewed on a space-available basis. > > Please send one copy of application letters to: > Prof. Nino Russo > (NATO-ASI Director) > Dipartimento di Chimica > Universita della Calabria > I-87030 Arcavacata di Rende (CS) > ITALY > Tel: 39-(0)984 49 21 06 > Fax: 39-(0)984 49 20 44 > E.M.: RUSSO@CSFISI.CINECA.IT > > -- *-------------------------------------------------------* | Mark E. Casida | | Chemistry Computing Professional | |-------------------------------------------------------| | Departement de chimie \_____/ | | Universite de Montreal /\0|0/\ | | C.P. 6128, Succ. A | | | | | | Montreal, Quebec H3C 3J7 \/ \/ | | Canada -----"-"---- | |-------------------------------------------------------| | tel: (514) 343-6111 poste/extension 3901 | | e-mail: casida@chimcn.umontreal.ca | | fax: (514) 343-7586 | *-------------------------------------------------------* From shenkin@still3.chem.columbia.edu Thu Feb 3 18:46:51 1994 Received: from mailhub.cc.columbia.edu for shenkin@still3.chem.columbia.edu by www.ccl.net (8.6.4/930601.1506) id RAA20347; Thu, 3 Feb 1994 17:59:31 -0500 Received: from still3.chem.columbia.edu by mailhub.cc.columbia.edu with SMTP id AA12656 (5.65c+CU/IDA-1.4.4/HLK for chemistry@ccl.net); Thu, 3 Feb 1994 17:59:30 -0500 Received: by still3.chem.columbia.edu (930416.SGI/930416.SGI.AUTO) for @cunixf.cc.columbia.edu:chemistry@ccl.net id AA22244; Thu, 3 Feb 94 17:59:28 -0500 Date: Thu, 3 Feb 94 17:59:28 -0500 From: shenkin@still3.chem.columbia.edu (Peter Shenkin) Message-Id: <9402032259.AA22244@still3.chem.columbia.edu> To: , chemistry@ccl.net Subject: Re: CCL:Deprioritizing SGI unix runs > From: > Date: Thu, 03 Feb 1994 14:21:38 -0500 (EST) > Precedence: bulk > > I recall that there was a message over the net about something > better than "nice" (which hardly works at all). Can anyone tell me > how to keep background jobs from slowing foreground jobs to a > crawl? Thanks. "man npri"; example: (as superuser, unless it's your job): npri -h 150 -p will give the existing job a non-degrading priority of 150. High priorities (like high "nice" values) slow the process down. 150 is a good value for background jobs which should never preempt interactive work to a significant extent. In other words, a job with this priority, if it's the only user process on the system, will use 99+% of the CPU (e.g., at night), but it will use essentially 0% if someone is at the console interacting with, say, a molecular graphics program. The difference between npri and nice is that npri gives a *non- degrading* priority. "nice" affects the aging of priorities. You can also say, "npri -h 150 " to start up a job with a non-degrading priority of 150. Hope this helps.... -P. ***************************************************************************** ********************** "So much for global warming...." ********************* Peter S. Shenkin, Box 768 Havemeyer Hall, Dept. of Chemistry, Columbia Univ., New York, NY 10027; shenkin@still3.chem.columbia.edu; (212) 854-5143