From chemistry-request@server.ccl.net Wed Apr 25 13:40:23 2001 Received: from ucidoor.unitedcatalysts.com ([208.23.162.2]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3PHeMI21928 for ; Wed, 25 Apr 2001 13:40:23 -0400 Received: by ucidoor.unitedcatalysts.com; (8.8.8/1.3/10May95) id NAA15445; Wed, 25 Apr 2001 13:40:22 -0400 (EDT) Received: from 10.1.0.50 by ucismtp02.unitedcatalysts.com (InterScan E-Mail VirusWall NT); Wed, 25 Apr 2001 13:40:01 -0400 (Eastern Daylight Time) Received: from lvlxch01.unitedcatalysts.com ([10.16.100.88]) by lvlmail.unitedcatalysts.com (PMDF V6.0-24 #41777) with ESMTP id <0GCC00GK2ZK6UH@lvlmail.unitedcatalysts.com>; Wed, 25 Apr 2001 13:36:06 -0400 (EDT) Received: by lvlxch01.unitedcatalysts.com with Internet Mail Service (5.5.2650.21) id ; Wed, 25 Apr 2001 13:40:26 -0400 Content-return: allowed Date: Wed, 25 Apr 2001 13:40:26 -0400 From: "Shobe, Dave" Subject: RE: CCL:G98W--no map to state 9 To: "'Stefan Grimme'" , "'CCL'" Message-id: <157A51F55AAAD3119CD70008C7B1629DDAAE48@lvlxch01.unitedcatalysts.com> MIME-version: 1.0 X-Mailer: Internet Mail Service (5.5.2650.21) Content-type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id f3PHeNI21929 One thing that the input line doesn't make clear: hidden behind "chkbas" is an ECP. I'm actually using LANL2DZ with diffuse and polarization functions added. Anyway the pseudopotential is not inverse-square, so I don't know what V/T should be. --David Shobe -----Original Message----- From: Stefan Grimme [mailto:grimmes@goofy1.uni-muenster.de] Sent: Wednesday, April 25, 2001 12:29 PM To: Shobe, Dave Subject: Re: CCL:G98W--no map to state 9 I saw that your V/T is quite off (2.6). may be, your HF wavefunction is so bad that the couplings in the CIS hamiltonian are very large and the Gaussian Davidson solver (which is very inefficient!) fails. stefan _________________________________________________________ Prof. Dr. Stefan Grimme Organisch-Chemisches Institut (Abt. Theoretische Chemie) Westfaelische Wilhelms-Universitaet, Corrensstrasse 40 D-48149 Muenster, Tel (+49)-251-83 36512/33241/36515(Fax) Email:grimmes@uni-muenster.de http://www.uni-muenster.de/Chemie/OC/research/grimme/ _________________________________________________________ Positions available for carrying out doctoral or postdoctoral studies in chemistry in Münster: http://www.uni-muenster.de/Chemie/OC/positions/ _________________________________________________________ From chemistry-request@server.ccl.net Wed Apr 25 19:45:56 2001 Received: from usintout02.net.bms.com ([165.89.129.232]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3PNjuI23893 for ; Wed, 25 Apr 2001 19:45:56 -0400 Received: from nsusmsg03.net.bms.com ([127.0.0.1]) by mochilla.bms.com (PMDF V5.2-33 #38470) with ESMTP id <0GCD006BOGOHD6@mochilla.bms.com> for chemistry@ccl.net; Wed, 25 Apr 2001 19:45:54 -0400 (EDT) Received: from bms.com ([140.176.4.228]) by nsusmsg03.net.bms.com (Netscape Messaging Server 4.15) with ESMTP id GCDGOH00.TPR; Wed, 25 Apr 2001 23:45:53 +0000 Date: Wed, 25 Apr 2001 19:45:46 -0400 From: Doree F Sitkoff Subject: summary of dendrogram software To: chemistry@ccl.net, Doree F Sitkoff Message-id: <3AE761AA.894FB0DE@bms.com> Organization: Bristol-Myers Squibb MIME-version: 1.0 X-Mailer: Mozilla 4.72 [en]C-BMY (WinNT; U) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit X-Accept-Language: en All - Thanks for your input and sorry for the delay in posting the summary. -Doree Original question: Does anyone know of software (PC or UNIX-based) that can take a distance matrix as input, perform clustering and display back results as a dendrogram - of high enough quality that it could be used for poster or publication purposes? I have investigated SAS/JMP however it appears that it cannot take a distance matrix as input - it must calculate the matrix within the program. MINITAB does appear to be able to do this, however I am wondering what other options we might have. Thanks, -Doree > From Egon Willighagen (egonw@sci.kun.nl): Have a look at R, an OpenSource version of S, a statistical program. I use it to do just the thing you're asking for... You can download the software from www.r-project.org and use the hclust function. > From Gerd Raether (gerd@anterio.com) Xcluster can do a Mosaic and Map display in postscript format and write out customized cluster-data. Information you will find at http://www.schrodinger.com/MacroModel/completdes.html#xcluster For more information please contact schrodinger@anterio.com (Europe) or help@schrodinger.com. (Note from Doree: The display is not so "pretty"...) > From Peter Shenkin (shenkin@schrodinger.com): Yes -- XCluster, (part of MacroModel). We print out something we call the "clustering map" which contains the same info as the dendrogram, but in a different format. (In geometric terms, I believe it's the "dual".) The "Dfile" method of XCluster takes the distance matrix from a file, rather than computing it from an ensemble of conformations. In this way, it can be used on arbitrary preprocessed data. > From Susan Atlas (susie@tangelo.phys.unm.edu): We have used Matlab to do this but I would be interested in hearing about any other options you find out about. In addition, during informal discussions several people have suggested investigating gene expression array software. From chemistry-request@server.ccl.net Thu Apr 26 02:43:13 2001 Received: from statchem.snu.ac.kr ([147.46.41.143]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3Q6hCI25369 for ; Thu, 26 Apr 2001 02:43:12 -0400 Received: from ercc ([147.46.41.198]) by statchem.snu.ac.kr (8.9.3/8.9.3) with SMTP id PAA02673 for ; Thu, 26 Apr 2001 15:51:08 -0900 (ROT) Message-ID: <007201c0ce1b$ea1ecda0$c6292e93@snu.ac.kr> From: =?ks_c_5601-1987?B?wMzB+Mf1?= To: "ccl ccl" Subject: Oniom Method in G98 Date: Thu, 26 Apr 2001 15:41:13 +0900 MIME-Version: 1.0 Content-Type: text/plain; charset="ks_c_5601-1987" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.50.4133.2400 X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4133.2400 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from base64 to 8bit by server.ccl.net id f3Q6hDI25370 Hello CCLers, I would like to calculate the energy of Alanine dipeptide by using Oniom method in G98. But I had a error. My input file is as follows. # ONIOM(b3lyp/6-31g:/rHF/3-21g:rhf/sto-3g) Opt Test scf=direct opt=addredundant aladi0_0 0 1 C H 1 r2 H 1 r3 2 a3 H 1 r4 2 a4 3 d4 C 1 r5 2 a5 3 d5 0 Me H O 5 r6 1 a6 2 d6 0 Me N 5 r7 1 a7 2 d7 0 Lo H H 7 r8 5 a8 1 d8 0 Lo C 7 r9 5 a9 1 d9 0 Lo H 9 r10 7 a10 5 d10 0 Lo C 9 r11 7 a11 5 d11 0 Lo . . . The error message of output is ONIOM: saving gridpoint 1 ONIOM: restoring gridpoint 6 ONIOM: calculating energy. E23456= -39.975185597776 -150.938892654677 -40.509698000197 -152.051306592457 -486.521626565230 EInt= -.861910533745 ONIOM: extrapolated energy = -488.168552905431 Recover reactant geometry. Energy = -.48816855D+03 Symbolic Z-matrix: End of file in GetChg. Error termination via Lnk1e in /usr/local/g98/l101.exe. What meaning is "End of file in GetChg"? or Do i have a error of input file using Oniom method? Somebody help me!!! Thx in advance. ============================================================ Jinhyuk Lee Email: mack@statchem.snu.ac.kr School of Chemistry Tel: 82-2-879-2721 Seoul National University Seoul, Korea ============================================================ From chemistry-request@server.ccl.net Thu Apr 26 07:57:22 2001 Received: from resu1.ulb.ac.be ([164.15.59.200]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QBvLI27623 for ; Thu, 26 Apr 2001 07:57:21 -0400 Received: from mach.vub.ac.be (mach.ulb.ac.be [164.15.128.3]) by resu1.ulb.ac.be (8.8.8/3.17.1.ap (resu)) id NAA29063; Thu, 26 Apr 2001 13:53:43 +0200 (MET DST) for Received: from localhost (rvivasre@localhost) by mach.vub.ac.be (8.9.3/3.13.2.ap (mach)) id NAA03627; Thu, 26 Apr 2001 13:56:53 +0200 (MET DST) for Date: Thu, 26 Apr 2001 13:56:53 +0200 (MET DST) From: Ricardo Vivas-Reyes To: chemistry@ccl.net Subject: partial optimizations,cartesian Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers, I would like to perform partial geometry optimizations in Gaussian, using only cartesian coordinates? Is it possible Thank you for your help. Ricardo. Ricardo Vivas-Reyes Dients Algemene Chemie Vrije Universiteit Brussel Pleinlaan 2 1050 Brussels Belgium Voice: 32 2/6293315 FAX: 32 2/6293317 E-Mail Address: rvivasre@vub.ac.be ______________________________________________ From chemistry-request@server.ccl.net Thu Apr 26 08:41:56 2001 Received: from ccl.net ([192.148.249.4]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QCfpI27954 for ; Thu, 26 Apr 2001 08:41:51 -0400 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 IAA12958; Thu, 26 Apr 2001 08:41:50 -0400 (EDT) Date: Thu, 26 Apr 2001 08:41:48 -0400 (EDT) From: Jan Labanowski To: chemistry@ccl.net cc: Jan Labanowski Subject: 01.07.11 Comp Meth in Toxicol & Pharmacol CMTPI-2001 Message-ID: ---------- Forwarded message ---------- Date: Thu, 26 Apr 2001 11:24:31 +0200 From: Alain Carpy To: jkl@ccl.net Subject: CMTPI-2001 reminder The international symposium: Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2001) will be held in Bordeaux (France) July 11-13, 2001. You can register using the Online registration procedure available at: http://www.lsmc.u-bordeaux.fr/CMTPI.html You will find all information concerning keynote speakers, lectures and practical information on venue and accomodation on the Web. Looking forward to meeting you in Bordeaux. The Co-Chairmen Alain Carpy James Devillers CMTPI-2001 Centre de Congrès - Cité Mondiale Bordeaux 11-13 July 2001 Dr. Alain Carpy (Co-chairman of the Symposium) a.carpy@lptc.u-bordeaux.fr Dr. James Devillers (Co-chairman of the Symposium) jde-ctis@imaginet.fr From chemistry-request@server.ccl.net Thu Apr 26 08:49:38 2001 Received: from www.itc.univie.ac.at (IDENT:root@[131.130.39.40]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QCnbI28045 for ; Thu, 26 Apr 2001 08:49:37 -0400 Received: from panda.itc.univie.ac.at (IDENT:root@panda [131.130.39.2]) by www.itc.univie.ac.at (8.11.0/8.11.0) with ESMTP id f3QCiFB32147 for ; Thu, 26 Apr 2001 14:44:15 +0200 Received: from univie.ac.at (IDENT:silmar@localhost.localdomain [127.0.0.1]) by panda.itc.univie.ac.at (8.11.0/8.11.0) with ESMTP id f3QCiEM10452 for ; Thu, 26 Apr 2001 13:44:14 +0100 Sender: silmar@panda.itc.univie.ac.at Message-ID: <3AE8181C.4D0590F0@univie.ac.at> Date: Thu, 26 Apr 2001 13:44:12 +0100 From: Silmar Andrade do Monte Organization: Institute for theoretical chemistry X-Mailer: Mozilla 4.77 [en] (X11; U; Linux 2.2.16-22 i586) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: Partial optimization in cartesian coordinates Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Ricardo, I think that is not possible to perform partial geometry optimization in gaussian using onle cartesian coordinates. The partial optimization only works if the coordinate(s) to be frozen is an internal coordinate. Best wishes, Silmar From chemistry-request@server.ccl.net Thu Apr 26 10:51:42 2001 Received: from mailhub1.shef.ac.uk ([143.167.1.9]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QEpgI28732 for ; Thu, 26 Apr 2001 10:51:42 -0400 Received: from ramsley.shef.ac.uk ([143.167.103.254]) by mailhub1.shef.ac.uk with esmtp (Exim 3.22 #3) id 14sn7N-0005NI-00 for chemistry@ccl.net; Thu, 26 Apr 2001 15:51:41 +0100 Received: from RAMSLEY/SpoolDir by ramsley.shef.ac.uk (Mercury 1.48); 26 Apr 01 15:51:42 +0100 Received: from SpoolDir by RAMSLEY (Mercury 1.48); 26 Apr 01 15:51:27 +0100 From: "O.Nicolotti" To: chemistry@ccl.net Date: Thu, 26 Apr 2001 15:51:22 +0100 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: prefix to infix notation Priority: normal X-mailer: Pegasus Mail for Win32 (v3.12a) Message-Id: Hy, does anybody know if there are somewhere some C programming routines for converting expressions from prefix to infix notations. thanks, Orazio From chemistry-request@server.ccl.net Thu Apr 26 09:48:12 2001 Received: from hpserv.imim.es ([193.144.6.104]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QDmBI28304 for ; Thu, 26 Apr 2001 09:48:12 -0400 Received: from imim.es (i21.imim.es [193.144.6.190]) by hpserv.imim.es with SMTP (Microsoft Exchange Internet Mail Service Version 5.5.2650.21) id 2GWFX0V9; Thu, 26 Apr 2001 15:48:03 +0200 Message-ID: <3AE82651.5050407@imim.es> Date: Thu, 26 Apr 2001 15:44:49 +0200 From: "Hugo G. de Teran" User-Agent: Mozilla/5.0 (X11; U; Linux 2.2.14-5.0 i686; en-US; m18) Gecko/20001107 Netscape6/6.0 X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: CCL:Bond order in G98 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8bit Dear all: I have problems when trying to make the bond order analysis of a certain system, previously geomity-optimized, in gaussian98. The input file is as it follows: %chk=wrod5_b %mem=500Mb #p rhf/6-31+g** Density=current SP AIM=BO and the coputation stops with the following error message: II-1. RING POINTS ------------------------------------------------------------------------------- Ring Cartesian Coordinates Attractors X Y Z ------------------------------------------------------------------------------- 1 ( 6-membered) 2.443335 0.559118 -0.700689 3 4 24 23 25 5 REPAIRING RING 2: CASE 1, GAP OF LENGTH 1 BETWEEN ATTRACTORS 19 5 Irreparable ring damage: the gap cannot be bridged Error termination via Lnk1e in /usr/local/modelling/g98/l609.exe. Job cpu time: 0 days 0 hours 30 minutes 2.9 seconds. File lengths (MBytes): RWF= 50 Int= 0 D2E= 0 Chk= 2 Scr= 1 Is it necessary to calculate ring points or can it be avoided somehow? if not, how can I succesfully calculate the bond oreder in this system? I tryed directly with AIM, but found no option for this. Can anyone tell me something??????????? Thanks in advance -- Hugo G. de Teran Castañon G. R. Informatica Biomedica Institut Municipal de Investigacio Medica - IMIM C/ Dr Aiguader, 80,E-08003/ Barcelona (SPAIN) e-mail: hteran@imim.es Ph: +34 93 221 10 09 ext 2340 Fax: Fax: +34 93 221 3237 http://www1.imim.es/modeling From chemistry-request@server.ccl.net Thu Apr 26 10:59:50 2001 Received: from ucidoor.unitedcatalysts.com ([208.23.162.2]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QExoI28813 for ; Thu, 26 Apr 2001 10:59:50 -0400 Received: by ucidoor.unitedcatalysts.com; (8.8.8/1.3/10May95) id KAA26476; Thu, 26 Apr 2001 10:59:49 -0400 (EDT) Received: from 10.1.0.50 by ucismtp02.unitedcatalysts.com (InterScan E-Mail VirusWall NT); Thu, 26 Apr 2001 10:59:26 -0400 (Eastern Daylight Time) Received: from lvlxch01.unitedcatalysts.com ([10.16.100.88]) by lvlmail.unitedcatalysts.com (PMDF V6.0-24 #41777) with ESMTP id <0GCE00J13MSL8E@lvlmail.unitedcatalysts.com> for chemistry@ccl.net; Thu, 26 Apr 2001 10:55:33 -0400 (EDT) Received: by lvlxch01.unitedcatalysts.com with Internet Mail Service (5.5.2650.21) id ; Thu, 26 Apr 2001 10:59:53 -0400 Content-return: allowed Date: Thu, 26 Apr 2001 10:59:51 -0400 From: "Shobe, Dave" Subject: RE: Partial optimization in cartesian coordinates To: "'CCL'" Message-id: <157A51F55AAAD3119CD70008C7B1629DDAAE58@lvlxch01.unitedcatalysts.com> MIME-version: 1.0 X-Mailer: Internet Mail Service (5.5.2650.21) Content-type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id f3QExoI28814 I've not tried this, but apparently (from the manual) if you use opt=modredundant, you can put an input line such as: X 9 F and this will freeze the cartesian coordinates of atom 9. I do not know how the input orientation to standard orientation conversion treats this!! --David Shobe Süd-Chemie Inc. phone (502) 634-7409 fax (502) 634-7724 email dshobe@sud-chemieinc.com From chemistry-request@server.ccl.net Thu Apr 26 12:04:20 2001 Received: from copland.udel.edu ([128.175.13.92]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QG4KI29523 for ; Thu, 26 Apr 2001 12:04:20 -0400 Received: from localhost (giju@localhost) by copland.udel.edu (8.9.3/8.9.3) with ESMTP id MAA13526 for ; Thu, 26 Apr 2001 12:04:19 -0400 (EDT) Date: Thu, 26 Apr 2001 12:04:19 -0400 (EDT) From: Giju Thomas Kalathingal To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers, I am interested in the NMR coupling constant calculation for organic and organometallic compounds. I request your help for, (a) Which method is more suitable for the calculation? (b) What are the available programs? (c) Is there some freely available programs for this? Thanks in advance, Giju T. Kalathingal Department of Chemistry and Biochemistry University of Delaware Newark, Delaware 19716, USA. E-mail: giju@udel.edu URL: http://dogstar.duch.udel.edu/gijukt/welcome.html Tel. ++1-302-831-2919 Fax: ++1-302-831-6335 From chemistry-request@server.ccl.net Thu Apr 26 14:08:37 2001 Received: from sas.asc.hpc.mil ([129.48.244.126]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QI8aI30211 for ; Thu, 26 Apr 2001 14:08:36 -0400 Received: from asc.hpc.mil (spt06.asc.hpc.mil [129.48.244.149]) by sas.asc.hpc.mil (8.11.1/8.11.1) with ESMTP id f3QI8Z8128360 for ; Thu, 26 Apr 2001 14:08:35 -0400 (EDT) Sender: duanx@asc.hpc.mil Message-ID: <3AE86422.E82A24A7@asc.hpc.mil> Date: Thu, 26 Apr 2001 14:08:34 -0400 From: XIAOFENG FRANK DUAN Organization: CSC X-Mailer: Mozilla 4.76 [en] (X11; U; IRIX 6.5 IP22) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: Re: CCL:Partial optimization in cartesian coordinates References: <3AE8181C.4D0590F0@univie.ac.at> Content-Type: text/html; charset=us-ascii Content-Transfer-Encoding: 7bit
Hi,
It is possible to do it, and as matter of fact I did that before. (I can't recall which version, g98 or g94, I used to do so). As I remember, if you set opt=z-matrix and put your z-matrix as following form, then it will do partial optimization:

H       0       x1      y1      z1
C       0       x2      y2      z2
C       0       x3      y3      z3
C       0       x4      y4      z4
H       0       x5      y5      z5

x3  0.726704
y3  0.000000
z3  0.558749
x4  -0.726704
y4  0.000000
z4  0.558749
x5  0.000000
y5  0.000000
z5  2.255480
Constants
x1  0.000000
y1  0.000000
z1  -2.439287
x2  0.000000
y2  0.000000
z2  -0.688618

In the above example, atom 1 and 2 are fixed, x, y, z are cartesian coordinates.

Frank
 
 
 
 
 

    Dear Ricardo,
    I think that is not possible to perform partial geometry
optimization in gaussian using onle cartesian coordinates. The partial
optimization only works if the coordinate(s) to be frozen is an internal
coordinate.
        Best wishes,
                                    Silmar

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  From chemistry-request@server.ccl.net Thu Apr 26 14:46:56 2001 Received: from batch3.csd.uwm.edu ([129.89.7.226]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QIkuI30411 for ; Thu, 26 Apr 2001 14:46:56 -0400 Received: from alpha2.csd.uwm.edu (tes@alpha2.csd.uwm.edu [129.89.169.2]) by batch3.csd.uwm.edu (8.8.4/8.6.8) with ESMTP id NAA17853 for ; Thu, 26 Apr 2001 13:46:56 -0500 (CDT) Received: (tes@localhost) by alpha2.csd.uwm.edu (8.8.4/8.6.8) id NAA03136 for chemistry@ccl.net; Thu, 26 Apr 2001 13:46:55 -0500 (CDT) From: Thomas E Sorensen Message-Id: <200104261846.NAA03136@alpha2.csd.uwm.edu> Subject: CCL:Large file and Linux To: chemistry@ccl.net Date: Thu, 26 Apr 2001 13:46:55 -0500 (CDT) X-Mailer: ELM [version 2.5 PL2] MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit CCL members; I want to run QM applications under Linux that use large files. I verified that the new Linux 2.4 Kernel supplied with RedHat 7.1 (i386 version) supports files larger than 2 GIG. However, simple test programs compiled with gcc and g77 (version 2.96) terminate with "file size exceeded" errors when attempting to write a file larger than 2 GIG. Does anyone know if 64 bit ("long long") versions of header files and libraries exist that eliminate the 2 GIG file limit for Intel machines? If so, where do they reside? Please send your responses directly to me at tes@uwm.edu. I will post a summary to the group if sufficient interest exists. Thank you in advance for your help. Thomas Sorensen ( tes@uwm.edu ) From chemistry-request@server.ccl.net Thu Apr 26 17:09:58 2001 Received: from wn1.sci.kun.nl ([131.174.8.1]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3QL9vI31392 for ; Thu, 26 Apr 2001 17:09:57 -0400 Received: from studs3.sci.kun.nl by wn1.sci.kun.nl via studs3.sci.kun.nl [131.174.124.4] with ESMTP for id f3QL9uZ16640 (8.11.1/3.14); Thu, 26 Apr 2001 23:09:56 +0200 (MET DST) From: "E.L. Willighagen" Received: by studs3.sci.kun.nl via egonw@localhost for CHEMISTRY@ccl.net id f3QL9ti23313 (8.11.1/3.4); Thu, 26 Apr 2001 23:09:55 +0200 (MET DST) Date: Thu, 26 Apr 2001 23:09:55 +0200 (MET DST) Message-Id: <200104262109.f3QL9ti23313@studs3.sci.kun.nl> To: CHEMISTRY@ccl.net Subject: LaTeX macro's for 14 Bravais Lattices? Does anyone know about latex macro's to draw the 14 Bravais Lattices? kind regards, Egon Willighagen