From chemistry-request@server.ccl.net Thu Mar 1 04:52:11 2001 Received: from mx1.mr.netbig.com ([202.108.254.246]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f219qAw19112 for ; Thu, 1 Mar 2001 04:52:10 -0500 Received: (qmail 9503 invoked by uid 99); 1 Mar 2001 09:49:10 -0000 Message-ID: <20010301094910.9502.qmail@mx1.mr.netbig.com> From: zzynmr@netbig.com To: CHEMISTRY@ccl.net Cc: amber@cgl.ucsf.edu Subject: -S-S- predictions for 2 CYS after mutation Date: Thu, 01 Mar 2001 17:49:10 +0800 MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=gb2312 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from BASE64 to 8bit by server.ccl.net id f219qBw19115 Dear collegues, Suppose I have the X-ray structure of an homodimer (the dimer contains about 700-800 amino acids). There exist non-covalent and weak interactions between two monomers. Now I mutate one amino acid, which is near the boundary of the monomers, into CYS in each monomer respectively. I want to predict if these two CYSs have a tendency to form -S-S- bond by computer simulation before X-ray experiments of this mutation. Can anyone suggest some useful computational methods? (Molecular dynamics may be too expensive!) Thank you in advance. Regards Zhiyong From chemistry-request@server.ccl.net Thu Mar 1 08:46:57 2001 Received: from ccl.net (ccl.net [192.148.249.4]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f21Dkvw21734 for ; Thu, 1 Mar 2001 08:46:57 -0500 Received: from sctmg02.sct.ucarb.com (sctmg02.sct.ucarb.com [140.170.101.20]) by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id IAA05658 for ; Thu, 1 Mar 2001 08:46:55 -0500 (EST) Received: by sctmg02.sct.ucarb.com with Internet Mail Service (5.5.2650.10) id ; Thu, 1 Mar 2001 08:46:50 -0500 Message-ID: <47F7EAA0389AD011840500805FEAB9C6043C95DE@sctms01.sct.ucarb.com> From: "Fulton CR (Charles)" To: "'CCL'" Cc: "'Max'" Subject: RE: Kernel Update Date: Thu, 1 Mar 2001 08:46:47 -0500 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2650.10) Content-Type: text/plain imho it's easier, and in the long run more useful, to download the kernel source from ftp..kernel.org and compile the kernel yourself. It just sounds scary ;) After you get used to it you can have a new kernel running in 10-15 min's. however, if you do want to use rpm's you might want to check out this document here: http://www.redhat.com/support/docs/howto/kernel-upgrade/kernel-upgrade.html The latest kernel rpm from redhat is kernel-2.2.17-14, found here: (redhat's errata page) http://www.redhat.com/support/errata/RHSA-2001-013.html good luck! -charlie. ----------------------------------------------------- Charles Fulton Computational Chemistry The Dow Chemical Company S. Charleston, WV ----------------------------------------------------- > ---------- > From: Max[SMTP:maxvaldez@yahoo.com] > Sent: Monday, February 26, 2001 5:00 PM > To: Computational Chemistry List > Subject: CCL:Kernel Update > > Hi CCLers > > I hope to get some advice from you guys, I'm trying to update my Kernel, > to correct the NAN problem with heavy jobs in 2.2.14-5 kernel. > > When I try to rpm the kernel I get this anoying message: > > # rpm -i kernel-smp-2.2.17-14.i386.rpm > error: failed dependencies: > rpmlib(VersionedDependencies) <= 3.0.3-1 is needed by > kernel-smp-2.2.17-14 > > > I haven't been able to update RPM package because it sends me a lot of > this errors: > > file /bin/rpm from install of rpm-3.0.5-9.6x conflicts with file from > package rpm-3.0.4- > > Can anybody help me figure it out what is the problem?? > > Would RH7.0 be a better choice than updataing the kernel ??, any > experience with gaussian, gamess, or nwchem on RH7.0 ??? > > I will Thank you a lot ! > Max > > - > BE CAREFUL NOT TO BECOME TOO GOOD OF A SONGBIRD OR > THEY'LL THROW YOU INTO A CAGE. > > -- SNOOPY TO WOODSTOCK > > > > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To > Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net > 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: > jkl@ccl.net > > > > > From chemistry-request@server.ccl.net Thu Mar 1 11:35:23 2001 Received: from ccl.net (ccl.net [192.148.249.4]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f21GZNw23105 for ; Thu, 1 Mar 2001 11:35:23 -0500 Received: from krakow.ccl.net (krakow.ccl.net [192.148.249.195]) by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id LAA14368; Thu, 1 Mar 2001 11:35:18 -0500 (EST) Date: Thu, 1 Mar 2001 11:35:18 -0500 (EST) From: Jan Labanowski To: "Fulton CR (Charles)" cc: "'CCL'" , Jan Labanowski , "'Max'" Subject: RE: Kernel Update In-Reply-To: <47F7EAA0389AD011840500805FEAB9C6043C95DE@sctms01.sct.ucarb.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII You can also look at my instructions on installing Oracle under RH6.2 Linux which has a step by step log of my commands for recompiling linux kernel. You just skip the part where I change the header files: shmparam.h and sem.h since this is only really needed for Oracle. http://www.ccl.net/cca/software/UNIX/oracle/RH6.2/ Jan On Thu, 1 Mar 2001, Fulton CR (Charles) wrote: > imho it's easier, and in the long run more useful, to download the kernel > source from ftp..kernel.org and compile the kernel yourself. It > just sounds scary ;) After you get used to it you can have a new kernel > running in 10-15 min's. > > however, if you do want to use rpm's you might want to check out this > document here: > > http://www.redhat.com/support/docs/howto/kernel-upgrade/kernel-upgrade.html > > The latest kernel rpm from redhat is kernel-2.2.17-14, found here: > > (redhat's errata page) > http://www.redhat.com/support/errata/RHSA-2001-013.html > > good luck! > > -charlie. > > ----------------------------------------------------- > Charles Fulton > Computational Chemistry > The Dow Chemical Company > S. Charleston, WV > ----------------------------------------------------- > > > > ---------- > > From: Max[SMTP:maxvaldez@yahoo.com] > > Sent: Monday, February 26, 2001 5:00 PM > > To: Computational Chemistry List > > Subject: CCL:Kernel Update > > > > Hi CCLers > > > > I hope to get some advice from you guys, I'm trying to update my Kernel, > > to correct the NAN problem with heavy jobs in 2.2.14-5 kernel. > > > > When I try to rpm the kernel I get this anoying message: > > > > # rpm -i kernel-smp-2.2.17-14.i386.rpm > > error: failed dependencies: > > rpmlib(VersionedDependencies) <= 3.0.3-1 is needed by > > kernel-smp-2.2.17-14 > > > > > > I haven't been able to update RPM package because it sends me a lot of > > this errors: > > > > file /bin/rpm from install of rpm-3.0.5-9.6x conflicts with file from > > package rpm-3.0.4- > > > > Can anybody help me figure it out what is the problem?? > > > > Would RH7.0 be a better choice than updataing the kernel ??, any > > experience with gaussian, gamess, or nwchem on RH7.0 ??? > > > > I will Thank you a lot ! > > Max > > > > - > > BE CAREFUL NOT TO BECOME TOO GOOD OF A SONGBIRD OR > > THEY'LL THROW YOU INTO A CAGE. > > > > -- SNOOPY TO WOODSTOCK > > > > > > > > > > > > -= This is automatically added to each message by mailing script =- > > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To > > Admins > > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net > > 70 > > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: > > jkl@ccl.net > > > > > > > > > > > Jan K. Labanowski | phone: 614-292-9279, FAX: 614-292-7168 Ohio Supercomputer Center | Internet: jkl@ccl.net 1224 Kinnear Rd, | http://www.ccl.net/chemistry.html Columbus, OH 43212-1163 | http://www.ccl.net/ From chemistry-request@server.ccl.net Thu Mar 1 11:47:07 2001 Received: from dual.fqspl.com.pl (dual.fqspl.com.pl [212.244.147.6]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f21Gl6w23253 for ; Thu, 1 Mar 2001 11:47:06 -0500 Received: from victor (victor.fqspl.com.pl [10.10.10.5]) by dual.fqspl.com.pl (8.11.1/8.11.1) with SMTP id f21Hx3019802 for ; Thu, 1 Mar 2001 18:59:03 +0100 Message-ID: <023001c0a26e$e0879ca0$050a0a0a@fqspl.com.pl> From: "Victor Anisimov" To: Subject: Circular Dichroism Date: Thu, 1 Mar 2001 17:44:26 +0100 X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2314.1300 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2314.1300 Dear Computational Chemists: As you know well Circular Dichroism (CD) spectroscopy is a powerful tool in research of molecular structure mainly because of its biochemistry and stereochemistry application. As a relatively complex method it has many different methodological aspects of establishing a relationship between experimental spectrum and underlying molecular structure. If you are working in a field of CD spectroscopy or consider it as a promising research tool please take a look at the questionnaire below. The main idea of this questionnaire is to understand what aspects of CD spectroscopy are requested by larger community of researchers. Your help in this regard is highly appreciated. Your replies arrived before 11th of March 2001 will automatically take part in free software drawing. List of this software is shown below. I kindly request sending your replys directly to me so it will not bother other people on the list who are not interested in this topic. Please fill free sending this information to your colleagues and friends who can be interested in it. As usually I will summarize all the results obtained and post them back to the list along with a list of people who won particular programs. Sorry for possible crossposting if someone already received this questionnaire from a different source. With kind regards, Victor Anisimov, PhD, Senior Software Researcher - Computational Chemist FQS Poland, a Fujitsu company ul. Starowislna 13-15, 31-038 Krakow, Poland Email: victor@fqspl.com.pl Tel.(+48 12) 429-4345 Fax(+48 12) 429-6124 --------------------------- cut here ----------------------------- Electronic Circular Dichroism (CD) Questionnaire Your personal information regarding free software drawing: Name _____________________________________ Affiliation ______________________________ Telephone ________________________________ Fax ______________________________________ Address __________________________________ e-mail ___________________________________ Please feel free marking more than one relevant answer on any question of this questionnaire whenever it describes better your opinion. 1. I would like to take part in drawing of: __ Quantum CAChe __ MOPAC2000 for Windows __ MOPAC2000 for Linux __ WinMOPAC __ ChemFrontier Not familiar with this software, check http://www.fqspl.com.pl/ 2. What are your interests? __ Analytical Chemistry __ Biochemistry __ Computational Chemistry __ Inorganic Chemistry __ Medicinal Chemistry __ Organic Chemistry __ Physical Chemistry __ Other. Please specify ___________________ 3. Where do you work? __ Academic institution __ Commercial company __ Government institution __ Other. Please specify ___________________ 4. Does your work have any relationships with CD Spectroscopy? __ Yes __ Not now, but may be in future __ Not at all 5. Do you have in your Lab a CD spectropolarimeter? __ Yes __ No __ We may have it in future 6. What source of CD data you have? __ Direct CD measurements __ Computer simulations __ Other. Please specify ___________________ 7. What are your interests and objectives in application of CD spectra? __ Absolute configuration __ Conformational analysis __ Spectra-structure relationship __ New synthetic chiral compounds __ Natural compounds __ Peptides, proteins research __ Nucleic acids research __ Carbohydrates __ Synthetic polymers __ Other. Please specify ___________________ 8. Are you interested in calculation of CD spectra? __ Yes __ No __ Not now, but may be in future 9. What quantum-chemistry method do you use for CD spectra calculation? __ Ab initio __ DFT __ Semiempirical methods __ I do not calculate CD spectra 10. What program do you use for CD spectra calculation? __ Please specify ___________________ 11. Would you like to have a computer program for simulation of CD spectra? __ Yes __ No __ Not now, but may be in future 12. What is your preferred platform for computer simulation of CD spectra? __ Windows desktop __ SGI workstation __ Linux workstation __ Other. Please specify ___________________ 13. Which functional groups include interesting for you molecules? __ Ketone __ Acid (ester, lactone) __ Amide (lactam) __ Aromatic __ Complex __ Amine (hydroxyl) __ Halogen __ Nitrile __ (Dy)ene __ Other. Please specify ___________________ 14. In calculation of what transitions are you interested in? __ n-p* __ p-p* __ n-sigma* __ Other. Please specify ___________________ 15. Are your chromophores inherently chiral or achiral? __ chiral __ achiral 16. What mechanism of optical activity do you apply to the interpretation of your CD spectra? __ Static mixing (one-electron model) __ Dynamic coupling (coupled-oscillator model) __ Exciton coupling __ Other. Please specify ___________________ 17. What solvents do you use for registration of CD spectra? __ Acids __ Water __ Alcohols __ Acetonitrile __ Chloroform __ Hydrocarbons __ Dioxan __ Aromatic 18. Are you interested on solvent influence on the CD spectra of your compounds? __ Yes __ No 19. Does nature of solvent affects essentially on value of Cotton effect of your samples? __ Yes __ No 20. Are you interested on temperature influence on CD spectra? __ Yes __ No 21. Your compounds have __ Rigid molecular structure __ Flexible molecular structure 22. Do you require a statistical conformational analysis or molecular dynamics calculation of your compounds during simulation of their CD spectra? __ Yes __ No 23. What characteristics of calculated CD spectra are you interested in? __ Sign of Cotton effect __ Optical rotatory power __ Oscillator strength __ Magnitude wavelength of maximum of CD band 24. How do you usually do interpretation of CD spectra? __ Yourself __ With help of consultant __ Other. Please specify ___________________ 25. Do your samples undergo degradation or epimerization during registration of CD spectrum? __ Samples are stable __ Samples are non-stable 26. Are you interested in simulation program of CD spectra coupled with HPLC (on chiral or achiral phases)? __ Yes __ No __ Not now, but maybe in future 27. HPLC monitoring is interested for you due to determination of: __ Absolute configuration __ Asymmetric synthesis products __ Optical resolution products __ Enantiomeric (diastereomeric) excess __ Other. Please specify ___________________ 28. Are you interested in simulation of Vibrational CD (VCD) spectra? __ Yes __ No __ Not now, but maybe in future From chemistry-request@server.ccl.net Thu Mar 1 12:01:18 2001 Received: from kanga.INS.cwru.edu (root@kanga.INS.CWRU.Edu [129.22.8.32]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f21H1Iw23339 for ; Thu, 1 Mar 2001 12:01:18 -0500 Received: from raman6 (chem51439.CHEM.CWRU.Edu [129.22.129.103]) by kanga.INS.cwru.edu with SMTP (8.8.8+cwru/CWRU-3.6) id MAA26345; Thu, 1 Mar 2001 12:01:17 -0500 (EST) (from hxt19@po.cwru.edu) Message-ID: <009301c0a272$53c0f560$67811681@cwru.edu> Reply-To: "Hui-Hsu (Gavin) Tsai" From: "Hui-Hsu (Gavin) Tsai" To: Cc: , "Chia-Pin Pan" , Subject: ET theory/Electronic coupling Date: Thu, 1 Mar 2001 12:09:02 -0500 Dear CCLers and Silmar: Thanks for Silmar's email. It is very helpful. The two assumptions Silmar pointed out answer part of my questions. ** [The most common electron transfer theories use the two following assumptions: (i) The electronic coupling(Tab) is >> than the other therms. (ii) Tab(Q)=Tab(Q*), i.e, the value of Tab is constant and is equal to the one obtained for the transition state (TS).]** From Marcus theory, the factors which can affect ET rate are electronic coupling, temperature, driving force (G), and reorganization energy. Some researches are mainly focused on the theoretical calculations (superexchange and NBO analysis) of electronic coupling. (Newton, Ratner, Curtiss, Miller, Paddon-Row...) (Maybe) Due to these two assumptions, the other factors are ignored. The one interesting point in these researches is most of the calculated data are not compared with experimental results. As usual, most theoretical calculations are compared with well-known results to assess the quality. The another interesting question is different experimental methods. They are several spectroscopic methods are used to measure the ET rate such as time-resolved fluorescence, ultrafast absorption different spectroscopy, and transient absorption... I even think some measured rates are not involved with the nuclear reorganization and solvent reorientation and the electronic coupling dominates the rate due to the fast time scale. There are also some different kinds of electron transfer such as pohotinduced excited state electron transfer and gound state charge/hole hopping. I also think different measurement of different kinds of electron transfer shall require different theoretical approaches. But the concepts are not clear for me. I am just the beginner of this field. Any discussion and comment are valuable, welcome, and appreciated. Gavin From chemistry-request@server.ccl.net Thu Mar 1 13:15:30 2001 Received: from ccl.net (ccl.net [192.148.249.4]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f21IFUw25125 for ; Thu, 1 Mar 2001 13:15:30 -0500 Received: from oscdesk53.ccl.net (oscdesk53.ccl.net [192.148.249.53]) by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id NAA18589; Thu, 1 Mar 2001 13:15:28 -0500 (EST) Date: Thu, 1 Mar 2001 13:15:28 -0500 From: Gerald Lushington To: chemistry@ccl.net cc: gerald@ccl.net Subject: Emerging Methods for CCM Workshop Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII WORKSHOP ON EMERGING METHODS FOR COMPUTATIONAL CHEMISTRY AND MATERIALS SCIENCE Sheratons Four Points, Aberdeen MD, May 31 - June 1, 2001 We would like to welcome all interested government, industrial and academic researchers to PET-CCM's second Emerging Methods workshop. Building on the success of our 1999 incarnation off this event, we have assembled an excellent slate of speakers covering topics in the fields of: - Multiscale Materials Modeling - Mixed Quantum/Classical Simulations - Advanced Algorithm Development for a two day affair in Aberdeen MD. Attendance at the event is free for all, but we would ask all interested parties to please register online at: http://www.arl.hpc.mil/PET/cta/ccm/workshops/emerg01/reg.html AGENDA: THURSDAY A.M. (MAY 31) MULTISCALE MATERIALS MODELING 8:00 a.m. - 8:20 a.m. Registration, Coffee, etc. 8:20 a.m. - 8:30 a.m. Introductory Remarks 8:30 a.m. - 9:20 a.m. "Scalable algorithms for large multiscale simulations of nanomaterials on a Grid" Aiichiro Nakano (LSU) 9:20 a.m. - 10:10 a.m. "Real-Space Multiscale Methods in Density Functional Theory" Thomas Beck (Cincinnati) 10:10 a.m. - 10:30 a.m. break 10:30 a.m. - 11:20 a.m. "Bridging Length Scales in Materials: Coupling Atomistic and Continuum Models of Dislocation Dynamics" William Curtin (Brown) 11:20 a.m. - 12:00 p.m. round table discussion 12:00 p.m. - 1:30 p.m. lunch THURSDAY P.M. (MAY 31) MIXED QUANTUM / CLASSICAL TECHNIQUES: 1:30 p.m. - 2:20 p.m. "Mixed QM/MM Methods for Modeling Protein Active Site Chemistry" Richard Friesner (Columbia) 2:20 p.m. - 3:10 p.m. "Multi-scale Methods to Model Quantum Effects in Biological Systems" Darrin York (Minnesota) 3:10 p.m. - 3:30 p.m. break 3:30 p.m. - 4:20 p.m. "Quantum Bioinformatics: Methods and Applications" Kenneth Merz, Jr. (Penn State) 4:20 p.m. - 5:00 p.m. round table discussion FRIDAY A.M. (MAY 31) ADVANCED ALGORITHM DEVELOPMENT I: 8:30 a.m. - 9:20 a.m. "Accelerated Molecular Dynamics Methods" Arthur Voter (LANL) 9:20 a.m. - 10:10 a.m. "Atomistic Measures of Materials Strength, Deformation and Toughness" Sidney Yip (MIT) 10:10 a.m. - 10:30 a.m. round table discussion 10:30 a.m. - 11:30 a.m. poster session 11:30 a.m. - 1:00 p.m. lunch FRIDAY P.M. (MAY 31) ADVANCED ALGORITHM DEVELOPMENT II: 1:00 p.m. - 1:50 p.m. "An Introduction to Solid-Harmonic-Gaussian Density Functional Chemical Dynamics" Brett Dunlap (NRL) 1:50 p.m. - 2:40 p.m. "Fast methods for electronic structure calculations: Density Functional and Coupled Cluster Methods" Martin Head-Gordon (UC Berkeley) 2:40 p.m. - 3:00 p.m. round table discussion We are also planning to have a social event (informal supper and refreshments) on the evening of the 31st at Swan Harbor. People interested in participating in this event should please indicate this fact on their registration form, and bring along a $10.00 fee (per person) which will cover part of the cost of the transportation, meal and refreshments to be served. For more information on all of the above, relevant deadlines, accomodations and directions to the Sheraton, etc., please consult the Workshop Web page at: http://www.arl.hpc.mil/PET/cta/ccm/workshops/emerg01/index.html or contact the organizers at: Margaret M. Hurley, Ph.D. US Army Research Laboratory Computational and Information Sciences Directorate Phone: 410-297-8568 Fax: 410-278-4983 Email: hurley@arl.army.mil Gerald H. Lushington Ph: 614-292-6036 Research Specialist Fax: 614-292-7168 OSC / PET-CCM e-mail: gerald@ccl.net 1224 Kinnear Road http://www.arl.hpc.mil/PET/cta/ccm Columbus OH 43212-1163 http://www.asc.hpc.mil/PET/CCM From chemistry-request@server.ccl.net Thu Mar 1 14:53:25 2001 Received: from ccl.net (ccl.net [192.148.249.4]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f21JrPw27279 for ; Thu, 1 Mar 2001 14:53:25 -0500 Received: from hope.edu (webmail.hope.edu [198.110.98.17]) by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id OAA24022 for ; Thu, 1 Mar 2001 14:53:24 -0500 (EST) Received: from [198.110.101.2] (polik@hope.edu); Thu, 1 Mar 2001 14:53:03 -0500 X-WM-Posted-At: hope.edu; Thu, 1 Mar 01 14:53:03 -0500 Message-Id: <4.2.2.20010301143200.01b89200@webmail.hope.edu> X-Sender: polik@webmail.hope.edu X-Mailer: QUALCOMM Windows Eudora Pro Version 4.2.2 Date: Thu, 01 Mar 2001 14:45:44 -0500 To: chemistry@ccl.net From: "William F. Polik" Subject: Kernel Update In-Reply-To: References: <47F7EAA0389AD011840500805FEAB9C6043C95DE@sctms01.sct.ucarb.com> Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed While we are on the subject of updating Linux kernels, here is our internal documentation on updating the Red Hat 6.2 kernel. This approach does NOT rebuild the kernel, but rather installs updated, pre-built Red Hat rpm packages. Also, note that a newer version of the kernel rpm's exists than is specifically referenced in this procedure. ==========Updating the RedHat Linux 6.X kernel========== Backup /boot directory # mkdir /boot.000 # cd /boot # tar cf - . | (cd ../boot.000; tar xvf -) Backup lilo.conf # cp -p /etc/lilo.conf /etc/lilo.conf.000 Note installed kernel packages # rpm -qa | grep kernel- kernel-headers-2.2.14-5.0 kernel-2.2.14-5.0 kernel-pcmcia-cs-2.2.14-5.0 kernel-utils-2.2.14-5.0 Access kernel updates (here from another mount point) # mount -t vfat -r /dev/hda5 /mnt/hd # cd /mnt/hd/Updates/6.2i386/kernel # ls -alF Install (not update!) updated or additional kernel packages, using --force option where necessary # rpm -ivh kernel-headers-2.2.16-3.i386.rpm # rpm -ivh kernel-2.2.16-3.i386.rpm # rpm --force -ivh kernel-pcmcia-cs-2.2.16-3.i386.rpm # rpm --force -ivh kernel-utils-2.2.16-3.i386.rpm Note that the previous kernel will no longer support pcmcia due to overridden conflicts Update lilo.conf by adding a new section for the new kernel and making it the default # pico /etc/lilo.conf image=/boot/vmlinuz-2.2.16.3 [new section] label=linux image=/boot/vmlinuz-2.2.14-5.0 [renamed section] label=linux-old Update the boot record # /sbin/lilo -v Reboot the system # shutdown -r now Make a new emergency boot floppy # uname -r 2.2.16-3 # mkbootdisk 2.2.16-3 ==================== This procedure has worked well for us, but all usual disclaimers apply should you use the procedure! Comments from kernel aficionados are of course welcome. Will Polik =================================================================== William F. Polik email: polik@hope.edu Department of Chemistry url: http://www.chem.hope.edu/~polik Hope College phone: (616) 395-7639 35 East 12th Street fax: (616) 395-7118 Holland, MI 49422-9000 =================================================================== From chemistry-request@server.ccl.net Thu Mar 1 16:27:34 2001 Received: from ereapp2 (ereapp2.erenj.com [159.70.31.2]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f21LRPw28064 for ; Thu, 1 Mar 2001 16:27:29 -0500 Received: by ereapp2; id QAA00595; Thu, 1 Mar 2001 16:26:46 -0500 (EST) Received: from unknown(159.70.1.1) by ereapp2.erenj.com via smap (V5.5) id xma000557; Thu, 1 Mar 01 16:26:06 -0500 Received: from clmail.erenj.com (clmail.erenj.com [159.70.1.248]) by clnwww.erenj.com (8.9.3/8.9.3) with ESMTP id QAA07755; Thu, 1 Mar 2001 16:26:06 -0500 (EST) Received: from [159.70.22.101] (cln22-101.erenj.com [159.70.22.101]) by clmail.erenj.com (8.9.3/8.9.3) with SMTP id QAA15034; Thu, 1 Mar 2001 16:26:05 -0500 (EST) X-Sender: lsboffa@clmail.erenj.com Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Thu, 1 Mar 2001 16:25:57 -0500 To: CHEMISTRY@ccl.net From: lsboffa@erenj.com (Lisa Boffa) Subject: Two CATL Symposia of Interest to COMP Cc: cpmehne@erenj.com, john.hartwig@yale.edu Dear COMP list members, Two excellent upcoming symposia are to be run through the Catalysis & Surface Science Secretariat that did not appear in the recent C&E News call for papers. Both may be of interest to COMP members, as participants as well as attendees. The first (Chicago, Fall 2001) features homogeneous catalysis as practiced in the petroleum industry (including polymerization), while the second (Orlando, Spring 2002) focuses on biocatalysis in industrial processes. Please contact the symposium organizers as listed below if you have interest in participating in (or funding!!) these symposia. OASYS for Chicago will be opening in a few weeks, and submissions for the homogeneous catalysis symposium can be carried out via the CATL program link. CATL PROGRAM CALL FOR CHICAGO, FALL 2001: Homogeneous Catalysis in the Petroleum and Petrochemical Industry (cosponsored INOR, PETR, ). Christian P. Mehnert, ExxonMobil Research & Eng., Corporate Strategic Research, Route 22 East, LB 294, Annandale, NJ 08801-0998; Ph (908) 730-3657, Fax (908) 730-3198, cpmehne@erenj.com; John H. Hartwig, Department of Chemistry, Yale University, P.O. Box 208107, New Haven, CT 06520-8107; Ph (203) 432-3917, Fax (203) 432-6144, john.hartwig@yale.edu CATL PROGRAM CALL FOR ORLANDO, SPRING 2002: Applications of Biocatalysis to Industrial Based Processes. Scott F. Mitchell, DuPont Terathane_ Products, Experimental Station, Building 402/4315, Wilmington, DE 19880, FAX: (302) 695-1590, Ph: (302) 695-1742, email: scott-fenton.mitchell@usa.dupont.com; Eric P. Wasserman, Union Carbide Corporation, Polymers R&D, P. O. Box 670, Bound Brook, NJ 08805, FAX: (732) 563-5123, Ph: (732) 563-6056, email: wasserep@ucarb.com Additionally, I would like to remind all ACS members that ACS symposia can be organized directly through the Catalysis Secretariat if the topic is broad enough that the participation of at least two (preferably three) technical divisions would enrich the program. Nonmember divisions CAN participate in the activities of CATL. Since we do not have a membership list, preprints, or a divisional newsletter, we find it rather difficult to publicize this fact. If anyone has potential interest in organizing symposia directly through CATL, please contact me (as well as your divisional program chair) with any proposed topics. We are currently seeking symposia for the 2002 ACS national meetings and beyond. Regards, Lisa S. Boffa 2001 CATL Secretary-General ____________________________________________________________________________ Dr. Lisa S. Boffa * ExxonMobil Corporate Strategic Research * (908) 730-2240 Route 22E, Annandale, NJ 08801 * lsboffa@erenj.com * Fax (908) 730-2536 Regret for the things we've done can be tempered by time; It is regret for the things we did not do that is inconsolable. - Sydney J. Harris ____________________________________________________________________________