From JSMCM@jazz.ucc.uno.edu Thu Dec 1 04:16:17 1994 Received: from jazz.ucc.uno.edu for JSMCM@jazz.ucc.uno.edu by www.ccl.net (8.6.9/930601.1506) id EAA12325; Thu, 1 Dec 1994 04:14:49 -0500 Received: from jazz.ucc.uno.edu by jazz.ucc.uno.edu (PMDF #2820 ) id <01HK44HB1XTS8X52T3@jazz.ucc.uno.edu>; Thu, 1 Dec 1994 03:14:27 CST Date: 01 Dec 1994 03:14:27 -0600 (CST) From: JORGE Subject: Liquid Nitromethane To: chemistry@ccl.net Message-id: <01HK44HB1XTU8X52T3@jazz.ucc.uno.edu> X-VMS-To: IN%"chemistry@ccl.net" X-VMS-Cc: JSMCM MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Dear CCL members, I am looking for information on liquid nitromethane. I would appreciate if you could send me any information related to the theoretical study of this liquid. This is to complement a combined study DFT/MD that we are running. I will be glad to summarize the results to the net if there is some interest. Thanks in advance. With my best regards Jorge M. Seminario Department of Chemistry University of New Orleans New Orleans, LA 70148 Phone 504-286-7216 FAX 504-286-6860 jsmcm@uno.edu From Patrick.Bultinck@rug.ac.be Thu Dec 1 04:33:00 1994 Received: from mserv.rug.ac.be for Patrick.Bultinck@rug.ac.be by www.ccl.net (8.6.9/930601.1506) id DAA12197; Thu, 1 Dec 1994 03:54:24 -0500 Received: from allserv.rug.ac.be by mserv.rug.ac.be with SMTP id AA06194 (5.67b/IDA-1.5 for ); Thu, 1 Dec 1994 09:53:32 +0100 Received: by allserv.rug.ac.be (5.0/SMI-SVR4) id AA21704; Thu, 1 Dec 1994 09:54:04 +0100 Date: Thu, 1 Dec 1994 09:54:04 +0100 (MET) From: Patrick Bultinck To: "comp. chem. list" Subject: RMS deviation in El.stat. pot. (GAMESS) Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Content-Length: 2231 Dear netters, I have a question on some GAMESS (maybe other programs too) output generated in the fit of charges to the electrostatic potential. The output is given underneath. It describes a fit of charges on the atoms in an ethylenediamine conformer. As constraints we've used : 1- the sum of charges must equal the total charge (zero) 2- fit must reproduce dipole moment 3- fit must reproduce the quadrupole moment The algorithm used is the connolly algorithm. Can somebody tell me what the RMS deviation (in units kcal/mole) means, and how do they calculate it ? On what scale do I have to view the values ? OUTPUT ----------------------- ELECTROSTATIC POTENTIAL ----------------------- NUMBER OF POINTS SELECTED FOR FITTING = 1418 NET CHARGES: --------------------------- ATOM CHARGE --------------------------- C1 1.7740 C2 1.7740 N1 -1.2473 N2 -1.2473 H1 0.2977 H2 0.2977 H3 0.2977 H4 0.2977 H5 -0.5611 H6 -0.5611 H7 -0.5611 H8 -0.5611 --------------------------- ******Here it is****** RMS DEVIATION IS 3.390 KCAL/MOLE RELATIVE RMS DEVIATION IS 38.589 % *********************** MULTIPOLE MOMENTS: --------------------------------------------------------- STATUS ACTUAL VALUE QUANTITY FITTED VALUE --------------------------------------------------------- FIXED 0.0000 TOTAL CHARGE 0.0000 0.0000 D DIPOLE MOMENT 0.0000 D FIXED 0.0000 D DX 0.0000 D FIXED 0.0000 D DY 0.0000 D FIXED 0.0000 D DZ 0.0000 D FREE -9.7610 BU QXX -9.7610 BU FIXED 2.3702 BU QYY 2.3702 BU FIXED 7.3908 BU QZZ 7.3908 BU FIXED -10.5572 BU QXY -10.5572 BU FIXED 0.0000 BU QXZ 0.0000 BU FIXED 0.0000 BU QYZ 0.0000 BU --------------------------------------------------------- From rull@RHINO.chem.ruu.nl Thu Dec 1 05:16:17 1994 Received: from ruucv1.chem.ruu.nl for rull@RHINO.chem.ruu.nl by www.ccl.net (8.6.9/930601.1506) id EAA12523; Thu, 1 Dec 1994 04:34:28 -0500 Received: from rhino.chem.ruu.nl by ruucv1.chem.ruu.nl (5.65b/4.13) with SMTP id AA00997; Thu, 1 Dec 94 10:34:26 +0100 Received: by RHINO (931110.SGI/930416.SGI.AUTO) for @RUUCV1.chem.ruu.nl:chemistry@ccl.net id AA18486; Thu, 1 Dec 94 10:36:19 GMT From: rull@RHINO.chem.ruu.nl (Ton Rullmann) Message-Id: <9412011036.AA18486@RHINO> Subject: awk to C conversion To: chemistry@ccl.net Date: Thu, 1 Dec 1994 10:36:17 +0000 (WET) X-Mailer: ELM [version 2.4 PL22] Content-Type: text Content-Length: 580 Hello, I am looking for a program to convert a (n)awk script into a C program. At least one such utility appears to exist: awkcc, but I don't know where to obtain it. Can anyone give me references to awkcc or similar programs (how to obtain, commercial or PD)? Thank you! -- | Ton Rullmann NMR Spectroscopy | | Bijvoet Center for Biomolecular Research | Tel. : int+31.30.533641 | | Utrecht University, Padualaan 8, | Fax : int+31.30.537623 | | 3584 CH Utrecht, The Netherlands | Email: rull@nmr.chem.ruu.nl | From JeanLuc.Verschelde@rug.ac.be Thu Dec 1 06:16:18 1994 Received: from mserv.rug.ac.be for JeanLuc.Verschelde@rug.ac.be by www.ccl.net (8.6.9/930601.1506) id FAA13184; Thu, 1 Dec 1994 05:37:07 -0500 Received: from allserv.rug.ac.be by mserv.rug.ac.be with SMTP id AA09250 (5.67b/IDA-1.5 for ); Thu, 1 Dec 1994 11:36:11 +0100 Received: by allserv.rug.ac.be (5.0/SMI-SVR4) id AA25669; Thu, 1 Dec 1994 11:36:39 +0100 Date: Thu, 1 Dec 1994 11:36:38 +0100 (MET) From: Jean-Luc Verschelde To: OHIO SUPER Subject: large scale movements Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Content-Length: 273 Hi all, I want to simulate the large scale movements of the lid on horse pancreatic lipase . Therefore I need a brownian dynamics algorithm . Where can I find this algorithm and do you agree that this algorithm is the best for this problem? Thanks, Jean-Luc From bgobbi@CHBS.CIBA.COM Thu Dec 1 07:16:21 1994 Received: from chsun.eunet.ch for bgobbi@CHBS.CIBA.COM by www.ccl.net (8.6.9/930601.1506) id GAA13812; Thu, 1 Dec 1994 06:53:38 -0500 Received: from Ciba-GW.CHBS.CIBA.COM by chsun.eunet.ch (8.6.4/1.34) id MAA06795; Thu, 1 Dec 1994 12:54:49 +0100 Received: from Central.CHBS.CIBA.COM by Ciba-GW.CHBS.CIBA.COM (4.1/Ciba2.0-R1.0) id AA18283; Thu, 1 Dec 94 12:53:55 +0100 Received: from wirz.chbs (cgchb.uss.is.chbs) by Central.CHBS.CIBA.COM id AA29496; Thu, 1 Dec 1994 12:53:28 +0100 (5.65c8/Ciba2.0-C1.1) Received: from is7w_gobbial1 ([192.37.34.17]) by wirz.chbs id AA10079; Thu, 1 Dec 94 12:53:23 +0100 (4.1/SMI-3.2-CG-1.1A) Message-Id: <9412011153.AA10079@wirz.chbs> Sender: From: "Alberto Gobbi" To: CHEMISTRY@ccl.net Date: Thu, 1 Dec 1994 12:52:57 +1 Subject: Available Chemical Databases 2 Reply-To: bGobbi@CHBS.CIBA.COM Priority: normal X-Mailer: Pegasus Mail/Windows (v1.22) I yust have got this mail today from MDL, Alberto ------- Forwarded Message Follows ------- From: DM@mdli.com DATABASE PRODUCTS FROM MDL INFORMATION SYSTEMS 1-800-635-0064 14600 Catalina Street San Leandro, CA 94577 contact cherylk@mdli.com PHARMACEUTICAL DATABASES MDL Drug Data Report (MDDR) The MDDR database contains structure and biological activity information for 57,000 drug candidates. 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Best regards, Dale Mehl Director of Marketing Database Business Unit MDL Information Systems dm@mdli.com From virtual@quantum.larc.nasa.gov Thu Dec 1 10:16:24 1994 Received: from quantum.larc.nasa.gov for virtual@quantum.larc.nasa.gov by www.ccl.net (8.6.9/930601.1506) id JAA16096; Thu, 1 Dec 1994 09:41:44 -0500 Received: by quantum.larc.nasa.gov (1.37.109.10G/server2.4) id AA289842974; Thu, 1 Dec 1994 09:42:54 -0500 Message-Id: <199412011442.AA289842974@quantum.larc.nasa.gov> Date: Thu, 1 Dec 1994 09:42:54 -0500 From: "Don H. Phillips" To: chemistry@ccl.net Subject: Pentium Bug In considering and discussing the possibilities of serious errors arising from the Pentium division bug, it is important to be clear about absolute and relative errors, the nature of the bug itself, and the nature of the calculation. About the bug: 1. It bites infrequently, once every several billion divides if the numbers involved in the calculation are chosen by a truly random process. 2. The error (bite) is usually (relatively) small but can be (relatively) large. The largest relative error reported thus far was (6.1*10^-05). About ab initio calculations: 1. Very large quantities of numbers are calculated and processed. The numbers processed vary very widely in absolute size. 2. Different types of calculations (CI, MP, analytical or numerical energy derivative, SCF, etc) involve different types of intensive calculations. Some calculations approach numerical instability with the precision used for integrals, etc ( approaching *numerical* linear dependence with large basis sets, for example). Some of the discussion on this list has focused on the large number of quantities (two electron integrals) which have small absolute size. It is true that relative errors, even as large so as to leave only 4 significant digits, are not important if the absolute value of the quantity under consideration is near the numerical threshold of the calculation. However, even after we discount the operations involving numbers within a factor of 10^4 of the threshold we are left with a large number of operations which might hit the bug and *might* lead to a significant error. The analogy of the computations to weighing a captain by weighing the ship and captain and subtracting the weight of the ship is a little oversimplified for this discussion unless you consider that one of the two weights may be in error by a factor which may be as large as ( 1 - 1*10^-4). (How many *TONS* did you say the captain weighs?) To spruce up the analogy you might consider a ship composed of nearly equal amounts of positive and negative mass with the NET mass of a supertanker. Instead of weighing the ship, you must imagine cutting up the ship two different ways and weighing the parts, including the filings resulting from the cutting, independently. Include the captain in one of the weighings. The (signed) weights are summed twice, once using the weights including the captain and once using the weights without the captain. If some fraction of the weights of the filings are off by 10^-4 or less, the two sums will still have sufficient accuracy for the difference to be a good approximation to the captain's weight, but if the value for just one of the large pieces is significantly in error, all bets are off. A few years back, I saw reports that indicated that about 20% of the cycles at the NSF supercomputer sites were being used for calculations on molecules and solids. Today, we most certainly have a much larger volume of calculations being carried out on small (but powerful) computers. Some of the calculations take days, weeks, and even months of cpu time. It is inevitable that if enough calculations are being carried out on Pentium cpus, some of them will contain significant errors. The fact that one or more particular sets of calculations of particular types were carried out without detecting an error, or only detecting inconsequential errors, has limited relevance to the issue. In order to consider this error inconsequential, we would have to know that the probability of an error of a given size be on the order of that for an error of the same size occurring due to multiple bit memory errors. I don't believe that the available evidence supports such a conclusion at this time. I know of three cases in which powerful computers, operating in production environments, had broken hardware producing bad values for weeks or months. These cases involved a hot bit in a disk buffer on a Cray, a broken vector multiplier on a Cray, and a broken vector adder on a Convex. In each case only a couple of users realized anything was wrong. Getting the machine out of production for repair required that a user *prove* that the machine had a problem. In each case, dozens or hundreds of persons were getting questionable results from the machines without realizing it. If Intel continues to require that users prove that their applications have a problem with the Pentium divide error in order to obtain a "repair", there are going to be a lot of machines producing questionable results for a long time. Don From gerson@VNET.IBM.COM Thu Dec 1 12:25:56 1994 Received: from VNET.IBM.COM for gerson@VNET.IBM.COM by www.ccl.net (8.6.9/930601.1506) id MAA19671; Thu, 1 Dec 1994 12:06:41 -0500 From: Message-Id: <199412011706.MAA19671@www.ccl.net> Received: from DALVMIC1.VNET.IBM.COM by VNET.IBM.COM (IBM VM SMTP V2R2) with BSMTP id 3223; Thu, 01 Dec 94 12:05:50 EST Date: Thu, 01 Dec 94 12:05:50 EST To: chemistry@ccl.net Subject: IBM Offers Added Customer Protection for Systems From: Dennis J. Gerson, Ph.D. Technical Market Support; Chemical Sciences --------------------------------------------------- Subject: IBM Offers Added Customer Protection for Systems The following press release was issued by IBM today regarding the Pentium problem and systems replacements. I am posting this on the CHEMISTRY MAILSERV because of the interest in this issue and in response to numerous email messages from my colleagues on "what is IBM planning to do about this". Regards, Dennis Gerson ------------------------------------------------------------------------ IBM Offers Added Customer Protection for Systems with Pentium Microprocessors November 30, 1994 IBM today announced that it will implement a series of programs designed to assist customers who experience a problem with Intel Pentium* microprocessors in IBM systems. Intel last week acknowledged a defect in its Pentium microprocessor that can cause inaccurate results in some mathematical applications. Like Intel, IBM expects a very small number of customers to be affected. IBM is taking extra steps to ensure that all its customers are protected. In addition to working closely with Intel to resolve the issue, IBM will for its customers and business partners: - Establish telephone numbers worldwide to help customers determine if they have a problem, and work with them to implement an appropriate resolution. - Upon customer need, provide for replacement of Pentium chips. - Add an informational letter to all products shipped with a Pentium processor. Effective December 1 at 9:00 a.m., customers in the U.S. can call 800-426-3389 for more information. * Trademark of the Intel Corporation. --------------------------------------------------------------- IBM POWER Parallel Systems Division |Tele:(214)406-7267 Fax:7246 1503 LBJ Freeway MS/280750 |IBMLINK: USIB5MSK @ IBMMAIL Dallas TX 75234 USA |Email: gerson@vnet.ibm.com From jle@toyota.wavefun.com Thu Dec 1 14:16:23 1994 Received: from volvo.wavefun.com for jle@toyota.wavefun.com by www.ccl.net (8.6.9/930601.1506) id NAA21867; Thu, 1 Dec 1994 13:51:39 -0500 Received: from toyota.wavefun.com by volvo.wavefun.com via SMTP (931110.SGI/930416.SGI) for chemistry@ccl.net id AA25766; Thu, 1 Dec 94 10:50:06 -0800 Received: by toyota.wavefun.com (931110.SGI/930416.SGI) for @volvo.wavefun.com:chemistry@ccl.net id AA05219; Thu, 1 Dec 94 10:50:45 -0800 From: "Joe Leonard" Message-Id: <9412011050.ZM5217@toyota.wavefun.com> Date: Thu, 1 Dec 1994 10:50:44 -0800 Reply-To: jle@wavefun.com X-Mailer: Z-Mail (3.1.0 22feb94 MediaMail) To: chemistry@ccl.net Subject: Vendor-related support questions Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 Folks, In spite of some initial problems with our Internet provider (which were resolved basically by switching providers), Wavefunction Inc. is on the net. Questions can be directed to sales@wavefun.com or support@wavefun.com as appropriate. Please let me/us know if there is any further problems when emailing Wavefunction. -- ------------------------------------------------------------------------ Joe Leonard Wavefunction Inc. 18401 Von Karman, Suite 370 Irvine, CA 92715 I am a professional... 714-955-2120 do not attempt this at home. 714-955-2118 fax jle@wavefun.com From psubram@texaco.com Thu Dec 1 15:16:31 1994 Received: from texaco.com for psubram@texaco.com by www.ccl.net (8.6.9/930601.1506) id PAA23980; Thu, 1 Dec 1994 15:13:31 -0500 Received: by texaco.com (4.1/SMI-4.1) id AA27050; Thu, 1 Dec 94 14:12:41 CST Date: Thu, 1 Dec 94 14:12:41 CST From: psubram@texaco.com (Palavo Subramanian) Message-Id: <9412012012.AA27050@texaco.com> To: chemistry@ccl.net Subject: Polymer Chain Rigidity What is a good way to 'quantify' polymer chain rigidity ?. I am looking at comparing the rigidity of Polymer A as a function of temperature and also as a function of composition(monomer ratio in the case of a copolymer). Is there a good way to calculate this? Is Persistence Length a good measure of the rigidity? You can either post your replies on the net or mail to me at psubram@texaco.com. I will post a summary of the replies that I get. Thanks in advance, --Mani-- From janr@tiger.chem.uw.edu.pl Thu Dec 1 16:17:13 1994 Received: from tiger.chem.uw.edu.pl for janr@tiger.chem.uw.edu.pl by www.ccl.net (8.6.9/930601.1506) id PAA25081; Thu, 1 Dec 1994 15:55:07 -0500 Received: by tiger.chem.uw.edu.pl (AIX 3.2/UCB 5.64/4.03) id AA10952; Thu, 1 Dec 1994 21:54:47 +0100 Date: Thu, 1 Dec 1994 21:54:47 +0100 From: janr@tiger.chem.uw.edu.pl (Jan Radomski) Message-Id: <9412012054.AA10952@tiger.chem.uw.edu.pl> To: chemistry@ccl.net Subject: Center-line C++ debugger Cc: janr@tiger.chem.uw.edu.pl ----- Dear Netters, can some kind soul mail me direct about most recent version of the Centerline Software C++ full screen debugger? The last time I saw it working was about year ago. Jan Radomski From walterse@mis.fuhscms.edu Thu Dec 1 16:26:32 1994 Received: from mis.fuhscms.edu for walterse@mis.fuhscms.edu by www.ccl.net (8.6.9/930601.1506) id PAA24223; Thu, 1 Dec 1994 15:19:24 -0500 Message-Id: <199412012019.PAA24223@www.ccl.net> Subject: hydride transfer to NAD... To: CHEMISTRY@ccl.net Date: Thu, 1 Dec 1994 14:24:29 -0600 (CST) From: "Dr. D.Eric Walters" X-Mailer: ELM [version 2.4 PL23] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 8bit Content-Length: 628 Netters: Is anyone aware of information on transition state geometry for hydride transfer to the nicotinamide ring of NAD? I will appreciate any theoretical and/or experimental info you can provide. Thanks! Eric Walters * D. Eric Walters, Ph.D., Associate Professor, Biological Chemistry * Finch University of Health Sciences/The Chicago Medical School * 3333 Green Bay Road, North Chicago, IL 60064 * ph 708-578-3000, x-498;fax 708-578-3240; email: walterse@mis.fuhscms.edu * "A man would do nothing if he waited until he could do it so well that * no one would find fault with what he had done." --Cardinal Newman From hinsenk@ERE.UMontreal.CA Thu Dec 1 18:16:28 1994 Received: from condor.CC.UMontreal.CA for hinsenk@ERE.UMontreal.CA by www.ccl.net (8.6.9/930601.1506) id RAA26838; Thu, 1 Dec 1994 17:24:05 -0500 Received: from eole.ERE.UMontreal.CA by condor.CC.UMontreal.CA with SMTP id AA22739 (5.65c/IDA-1.4.4 for CHEMISTRY@ccl.net); Thu, 1 Dec 1994 17:21:51 -0500 Received: from cyclone.ERE.UMontreal.CA by eole.ERE.UMontreal.CA (940406.SGI/5.17) id AA04505; Thu, 1 Dec 94 17:21:50 -0500 Received: by cyclone.ERE.UMontreal.CA (940406.SGI/5.17) id AA27769; Thu, 1 Dec 94 17:21:50 -0500 Date: Thu, 1 Dec 94 17:21:50 -0500 From: hinsenk@ERE.UMontreal.CA (Hinsen Konrad) Message-Id: <9412012221.AA27769@cyclone.ERE.UMontreal.CA> To: JeanLuc.Verschelde@rug.ac.be Cc: CHEMISTRY@ccl.net In-Reply-To: (message from Jean-Luc Verschelde on Thu, 1 Dec 1994 11:36:38 +0100 (MET)) Subject: CCL: Brownian Dynamics Jean-Luc Verschelde wrote: I want to simulate the large scale movements of the lid on horse pancreatic lipase . Therefore I need a brownian dynamics algorithm . Where can I find this algorithm and do you agree that this algorithm is the best for this problem? The classical reference for Brownian Dynamics is D.L. Ermak and J.A. McCammon Brownian Dynamics with hydrodynamic interactions J. Chem. Phys. 69, 1352 (1978) Since I don't know anything about the system you want to study, I can't give a "yes" or "no" about the suitability of this method for you. However, I can give some general considerations: - One condition is that the molecule you are studying is much larger than the molecules of the solvent around it. This is necessary to treat the solvent as a continuous liquid. It turns out that empirically this assumption is valid for much smaller molecules than one would expect, so this is probably not a problem for you. - The second condition is that the velocity of your molecule relaxes on a faster timescale than the one on which it moves. The relaxation time is the quotient of the mass of your molecule and its friction coefficient in the solvent. If you know these values and the typical timescale of observable motion, you can easily verify this condition. If it is not fulfilled, but the first one is, you can still use Langevin dynamics. - The Brownian Dynamics algorithm derived by Ermak & McCammon covers only translational motion. If you want to study molecules that do not have (approximately) spherical symmetry, you must also consider rotational motion. It is certainly possible to derive a similar equation of motion for rotation, but as far as I know this has not been done. - If the Peclet number for your system, defined as UL/D, where U is the typical velocity (on the long time scale), L is the size of your molecule (or whatever part of it that moves), and D is the corresponding diffusion coefficient, is much larger than 1, then the random displacements and the derivative of the diffusion matrix can be neglected compared to the influence of other forces. In this case, called Stokesian Dynamics, both translational and rotational equations of motion are available. It is also much cheaper. - The paper by Ermak & McCammon uses a very simple approximation to describe hydrodynamic interactions. In addition to being inaccurate, it has also a more fundamental problem (the diffusion matrix is not always positive definite). Better calculation schemes are available, but much more expensive in terms of CPU time. ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsenk@ere.umontreal.ca Departement de Chimie | Tel.: +1-514-343-6111 ext. 3953 Universite de Montreal | Fax: +1-514-343-7586 C.P. 6128, succ. A | Deutsch/Esperanto/English/Nederlands/ Montreal (QC) H3C 3J7 | Francais (phase experimentale) ------------------------------------------------------------------------------- From CHMIGORN@NUSVM.NUS.SG Thu Dec 1 22:16:30 1994 Received: from phem3 for CHMIGORN@NUSVM.NUS.SG by www.ccl.net (8.6.9/930601.1506) id WAA00512; Thu, 1 Dec 1994 22:00:16 -0500 Received: from NUSVM.NUS.SG (MAILER@NUSVM) by phem3.acs.ohio-state.edu (PMDF V4.2-13 #5888) id <01HK57THRREO94EFR9@phem3.acs.ohio-state.edu>; Thu, 1 Dec 1994 22:00:10 EDT Received: from NUSVM.NUS.SG (NJE origin CHMIGORN@NUSVM) by NUSVM.NUS.SG (LMail V1.2a/1.8a) with RFC822 id 6033; Fri, 2 Dec 1994 09:17:50 +0800 Date: Fri, 02 Dec 1994 09:13:22 +0700 (SST) From: "I.Novak" Subject: HP 712 VS. IBM POWERPC ON GAUSSIAN 92 To: CHEMISTRY@ccl.net Message-id: <01HK57THRREQ94EFR9@phem3.acs.ohio-state.edu> Content-transfer-encoding: 7BIT Dear Netters, I am trying to get some info about the ease of installation and performance of Gaussian 92 on HP 712/60 and IBM PowerPC 40P platforms. I will summarize the responses since perhaps some people with tight funding may consider purchasing these two low-end machines. Thanks! Dr I.Novak,Dept.of Chemistry,NAtional University of Singapore Sinagapore 0511 Internet:chmigorn@nus.sg Bitnet: chmigorn@nusvm P.S. Any reports of bugs and hitches would be especially welcome.