From chemistry-request@ccl.net Thu Feb 12 00:32:01 2004 Received: from spearnet.net (mail.spearnet.net [65.219.158.32]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1C5VwU6029108 for ; Thu, 12 Feb 2004 00:31:59 -0500 Received: from cornell.edu [67.193.134.6] by spearnet.net with ESMTP (SMTPD32-6.06) id A854238F011E; Thu, 12 Feb 2004 00:08:20 -0600 Date: Thu, 12 Feb 2004 00:32:11 -0500 Subject: Re: CCL:J.Comp.Chem. Style File Needed Content-Type: text/plain; charset=US-ASCII; format=flowed Mime-Version: 1.0 (Apple Message framework v552) Cc: chemistry|at|ccl.net To: "Taras V. Pogorelov" From: Richard Gillilan In-Reply-To: <40284074.7121C614|at|uiuc.edu> Message-Id: Content-Transfer-Encoding: 7bit X-Mailer: Apple Mail (2.552) X-Spam-Status: No, hits=3.3 required=7.0 tests=RCVD_IN_DYNABLOCK, RCVD_IN_NJABL,RCVD_IN_NJABL_DIALUP,RCVD_IN_SORBS autolearn=no version=2.61 X-Spam-Level: *** X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net In an earlier message I offered to make available a modified version of a bst style file for Latex that does J. Comp. Chem. format. Now that I examine the copyright header (achemso.bst), I see that I may not distribute the modified form. Sorry to those who have asked. I may contact the copyright holder to ask permission or have the changes included in the official distribution. Richard From chemistry-request@ccl.net Wed Feb 11 20:58:08 2004 Received: from exmails1.chem.ucla.edu (exmails1.chem.ucla.edu [169.232.134.2]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1C1w7U6018435 for ; Wed, 11 Feb 2004 20:58:07 -0500 Received: from [128.97.138.138] (d-128-97-138-138.chem.ucla.edu [128.97.138.138]) (authenticated bits=0) by exmails1.chem.ucla.edu (8.12.8/8.12.8) with ESMTP id i1C1wN7r020853; Wed, 11 Feb 2004 17:58:24 -0800 User-Agent: Microsoft-Entourage/10.1.4.030702.0 Date: Wed, 11 Feb 2004 17:58:17 -0800 Subject: Conference Announcement/ Philosophy of Chemistry & Biochemistry From: Eric Scerri To: hopos CC: Mail Server , philchem , CCL , chemed Message-ID: Mime-version: 1.0 Content-type: multipart/alternative; boundary="B_3159367101_26940113" X-Spam-Status: No, hits=0.2 required=7.0 tests=HTML_FONTCOLOR_BLUE, HTML_FONT_BIG,HTML_MESSAGE autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net > This message is in MIME format. Since your mail reader does not understand this format, some or all of this message may not be legible. --B_3159367101_26940113 Content-type: text/plain; charset="US-ASCII" Content-transfer-encoding: 7bit International Society for the Philosophy of Chemistry 8th Summer Symposium Hatfield College University of Durham Sunday 15th - Wednesday 18th August 2004 Call for Papers Previous summer symposia of the International Society for the Philosophy of Chemistry have provided a forum for philosophers and chemists to present papers on metaphysical, epistemological, methodological, semantic, logical and historical issues raised by thinking about the subject matter and science of chemistry. The 8th Summer Symposium will continue this tradition. Papers are therefore invited on any topic in the philosophy of chemistry. If you would like to present a paper, please send a title and abstract (of around 300 words) to Robin Hendry, as an email attachment in Word or RTF formats, or (preferably) in the body of an email message. You should also give your postal and email address, and academic affiliation. I will notify you as soon as possible whether your abstract has been accepted. The deadline for submitting an abstract is Saturday 1 May 2004. The deadline for registration for the conference is Thursday 1 July. For further details see http://www.dur.ac.uk/philosophy.department/general/events/ISPC.html Please contact: Dr RF Hendry Department of Philosophy University of Durham 50 Old Elvet Durham DH1 3HN UK email: r.f.hendry=at=durham.ac.uk ------------------ Dr. Eric Scerri, Department of Chemistry & Biochemistry, UCLA, Los Angeles, CA 90095. E-mail scerri=at=chem.ucla.edu Phone 310 576 0031 -------------------------------------------------------- UCLA Web page http://www.chem.ucla.edu/dept/Faculty/scerri/index.html Editor of Foundations of Chemistry http://www.kluweronline.com/issn/1386-4238 International Society for the Philosophy of Chemistry http://www.georgetown.edu/faculty/earleyj/ISPC.html --B_3159367101_26940113 Content-type: text/html; charset="US-ASCII" Content-transfer-encoding: quoted-printable Conference Announcement/ Philosophy of Chemistry & Biochemistry<= /TITLE> </HEAD> <BODY> <FONT COLOR=3D"#0000FF"><FONT SIZE=3D"5"><FONT FACE=3D"Papyrus"><SPAN STYLE=3D'font= -size:24.0px'><BR> International Society for the Philosophy of Chemistry<BR> 8th Summer Symposium<BR> Hatfield College<BR> University of Durham<BR> Sunday 15th - Wednesday 18th August 2004<BR> <BR> Call for Papers<BR> </SPAN></FONT></FONT></FONT><FONT FACE=3D"Papyrus"><SPAN STYLE=3D'font-size:14.= 0px'><BR> Previous summer symposia of the International Society for the<BR> Philosophy of Chemistry have provided a forum for philosophers and<BR> chemists to present papers on metaphysical, epistemological,<BR> methodological, semantic, logical and historical issues raised by<BR> thinking about the subject matter and science of chemistry. The 8th<BR> Summer Symposium will continue this tradition. Papers are therefore<BR> invited on any topic in the philosophy of chemistry.<BR> <BR> If you would like to present a paper, please send a title and<BR> abstract (of around 300 words) to Robin Hendry, as an email<BR> attachment in Word or RTF formats, or (preferably) in the body of an<BR> email message. You should also give your postal and email address,<BR> and academic affiliation. I will notify you as soon as possible<BR> whether your abstract has been accepted. The deadline for submitting<BR> an abstract is Saturday 1 May 2004. The deadline for registration for<BR> the conference is Thursday 1 July.<BR> <BR> For further details see<BR> <BR> <a href=3D"http://www.dur.ac.uk/philosophy.department/general/events/ISPC.htm= l">http://www.dur.ac.uk/philosophy.department/general/events/ISPC.html</a><B= R> <BR> <BR> Please contact:<BR> <BR> Dr RF Hendry<BR> Department of Philosophy<BR> University of Durham<BR> 50 Old Elvet<BR> Durham<BR> DH1 3HN UK<BR> <BR> email: r.f.hendry=at=durham.ac.uk<BR> <BR> ------------------<BR> </SPAN></FONT><SPAN STYLE=3D'font-size:14.0px'><FONT FACE=3D"Verdana"><BR> <BR> Dr. Eric Scerri,<BR> Department of Chemistry & Biochemistry,<BR> UCLA,<BR> Los Angeles,<BR> CA 90095.<BR> <BR> E-mail   scerri=at=chem.ucla.edu<BR> Phone  310 576 0031<BR> <BR> --------------------------------------------------------<BR> <BR> UCLA Web page<BR> <a href=3D"http://www.chem.ucla.edu/dept/Faculty/scerri/index.html">http://ww= w.chem.ucla.edu/dept/Faculty/scerri/index.html</a><BR> <BR> <BR> Editor of Foundations of Chemistry<BR> <a href=3D"http://www.kluweronline.com/issn/1386-4238">http://www.kluweronlin= e.com/issn/1386-4238</a><BR> <BR> <BR> International Society for the Philosophy of Chemistry<BR> <a href=3D"http://www.georgetown.edu/faculty/earleyj/ISPC.html">http://www.ge= orgetown.edu/faculty/earleyj/ISPC.html</a><BR> <BR> </FONT><FONT FACE=3D"Papyrus"><BR> </FONT></SPAN> </BODY> </HTML> --B_3159367101_26940113-- From chemistry-request@ccl.net Thu Feb 12 06:40:47 2004 Received: from mail.uvigo.es (mail.uvigo.es [193.146.32.91]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1CBejU6012758 for <chemistry|at|ccl.net>; Thu, 12 Feb 2004 06:40:46 -0500 Received: from mail.uvigo.es (localhost [127.0.0.1]) by mail.uvigo.es (8.12.11/8.12.1) with ESMTP id i1CBf4Qe004537 for <chemistry|at|ccl.net>; Thu, 12 Feb 2004 12:41:04 +0100 Received: from correo.uvigo.es (correo.uvigo.es [193.146.32.68]) by mail.uvigo.es (8.12.11/8.12.1) with ESMTP id i1CBf1th004508 (version=TLSv1/SSLv3 cipher=EDH-RSA-DES-CBC3-SHA bits=168 verify=NOT) for <chemistry|at|ccl.net>; Thu, 12 Feb 2004 12:41:03 +0100 Received: from correo (correo [193.146.32.68]) by correo.uvigo.es (8.12.11/8.12.5) with ESMTP id i1CBevJO007611; Thu, 12 Feb 2004 12:40:57 +0100 Date: Thu, 12 Feb 2004 12:40:57 +0100 (CET) From: Carlos Silva Lopez <csilval|at|uvigo.es> X-X-Sender: <csilval@correo> To: <csilval|at|uvigo.es> cc: <chemistry|at|ccl.net> Subject: Linda & G98 In-Reply-To: <1076441699.25582.112.camel|at|dhcp-539-820.geop.uc.edu> Message-ID: <Pine.LNX.4.33.0402121229230.27192-100000@correo> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=ISO-8859-1 X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from QUOTED-PRINTABLE to 8bit by server.ccl.net id i1CBelU6012762 Hello CCLers! I am setting up a cluster with dual processor nodes. I want to paralellize g98 jobs through tcp/ip. I have succeded parallelizing on the two on-Mother Board processors, but Linda fails to parallelize through the network. I can do rlogin and rsh with no passwd to every node on my cluster. In my first attemp to run a g98 job a got several error messages, something like: "Wrong message from Linda on node X" And the next attempts usually break with either this: "ntsnet: worker on node host2 exited abnormally" or this: "ntsnet: too many workers exited to continue" "ntsnet: needed: 1, started: 1, died: 1" Could anybody shed some light on this issue? Thanks a lot! _-_-_-_-_-_-_-_-_-_-_-_- Carlos Silva Lspez Dept. Qummica Organica Universidade de Vigo Phone:(34) 986813721 -_-_-_-_-_-_-_-_-_-_-_-_ From chemistry-request@ccl.net Thu Feb 12 12:16:09 2004 Received: from academy2.cas.cz (academy2.cas.cz [147.231.58.2]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1CHG0U6029117 for <chemistry_at_ccl.net>; Thu, 12 Feb 2004 12:16:03 -0500 Received: from localhost (localhost [127.0.0.1]) by academy2.cas.cz (Postfix) with ESMTP id 7002843E4E; Thu, 12 Feb 2004 18:18:00 +0100 (CET) Received: from academy2.cas.cz ([127.0.0.1]) by localhost (academy2 [127.0.0.1]) (amavisd-new, port 10024) with ESMTP id 07884-09; Thu, 12 Feb 2004 18:17:59 +0100 (CET) Received: from HRUSAK (unknown [147.231.61.155]) by academy2.cas.cz (Postfix) with SMTP id DD9C743BF0; Thu, 12 Feb 2004 18:17:59 +0100 (CET) Message-ID: <002f01c3f18b$e9cbc6a0$9b3de793_at_it.kav.cas.cz> Reply-To: "=?iso-8859-2?B?SmFuIEhydbnhaw==?=" <hrusak_at_kav.cas.cz> From: "=?iso-8859-2?B?SmFuIEhydbnhaw==?=" <hrusak_at_kav.cas.cz> To: <chemistry_at_ccl.net>, <mailbase_at_mailbase.ac.uk> Cc: <alexander_lichy_at_alms.cz> Subject: 17.th International mass pectromety conference Prague 2006 Date: Thu, 12 Feb 2004 18:16:12 +0100 MIME-Version: 1.0 Content-Type: multipart/related; type="multipart/alternative"; boundary="----=_NextPart_000_002B_01C3F194.4B8691B0" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1158 Disposition-Notification-To: "=?iso-8859-2?B?SmFuIEhydbnhaw==?=" <hrusak_at_kav.cas.cz> X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1165 X-Spam-Status: No, hits=0.8 required=7.0 tests=HTML_30_40,HTML_MESSAGE autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net This is a multi-part message in MIME format. ------=_NextPart_000_002B_01C3F194.4B8691B0 Content-Type: multipart/alternative; boundary="----=_NextPart_001_002C_01C3F194.4B8691B0" ------=_NextPart_001_002C_01C3F194.4B8691B0 Content-Type: text/plain; charset="iso-8859-2" Content-Transfer-Encoding: quoted-printable Prague/Czech Republic, Aug 27 - Sept 1, 2006 -------------------------------------------------------------------------= ------- Invitation We cordially invite you to attend the 17th International Mass = Spectrometry Conference, to be held at the end of summer 2006 in Prague. = The conference is attended by cca 1400 scientists from all around the = world and will traditionaly cover different aspects (experimental and = theoretical) of gas phase ion chemistry, biochemistry, and physics. = Please visit the conference WEB page www.imsc2006.org - for more = details -------------------------------------------------------------------------= ------- RNDr. Jan H R U S A K, CSc. Member of the Academy Council=20 Academy of Sciences of the Czech Republic Narodni 3, 110 00 Pregue 1, Czech Republic http://www.cas.cz/en/Academy.council.html hrusak_at_kav.cas.cz _________________________________________________________________________= ___________________________ ------=_NextPart_001_002C_01C3F194.4B8691B0 Content-Type: text/html; charset="iso-8859-2" Content-Transfer-Encoding: quoted-printable <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <HTML><HEAD> <META http-equiv=3DContent-Type content=3D"text/html; = charset=3Diso-8859-2"> <META content=3D"MSHTML 6.00.2800.1400" name=3DGENERATOR> <STYLE></STYLE> </HEAD> <BODY bgColor=3D#ffffff> <DIV><FONT face=3DArial size=3D2> <DIV id=3Denvelopehome0> <DIV id=3Denvelopehome> <DIV id=3Dheader> <P id=3Dwebname><IMG height=3D66=20 alt=3D"17th International Mass Spectrometry Conference"=20 src=3D"cid:002a01c3f18b$e9bfb8b0$9b3de793_at_it.kav.cas.cz" = width=3D454></P> <H2>Prague/Czech Republic, Aug 27 – Sept 1, 2006</H2></DIV> <HR class=3Dcsshide> <DIV class=3Darticle0> <DIV class=3Darticle> <H3 class=3Dfirst>Invitation</H3> <P>We cordially invite you to attend the 17th International = Mass=20 Spectrometry Conference, to be held at the end of summer 2006 = in Prague.=20 The conference is attended by cca 1400 scientists from all around the = world and=20 will traditionaly cover different aspects (experimental and theoretical) = of gas=20 phase ion chemistry, biochemistry, and physics. Please visit the = conference=20 WEB page <A=20 href=3D"http://www.imsc2006.org"><STRONG>www.imsc2006.org</STRONG></A><ST= RONG>=20 -  </STRONG><FONT size=3D2>for more details</FONT></P> <DIV class=3Dhomecontents> <HR class=3Dcsshide> </DIV></DIV></DIV> <DIV class=3Darticle0wide> <DIV class=3Dfooter></FONT><FONT face=3DArial = size=3D2></FONT> </DIV> <DIV class=3Dfooter><FONT face=3DArial size=3D2>RNDr. Jan H R U S A K, = CSc.<BR>Member=20 of the Academy Council <BR>Academy of Sciences of the Czech = Republic<BR>Narodni=20 3, 110 00 Pregue 1, Czech Republic<BR><A=20 href=3D"http://www.cas.cz/en/Academy.council.html">http://www.cas.cz/en/A= cademy.council.html</A><BR><A=20 href=3D"mailto:hrusak_at_kav.cas.cz">hrusak_at_kav.cas.cz</A></FONT></DIV></DIV= ></DIV></DIV></DIV> <DIV><FONT face=3DArial=20 size=3D2>________________________________________________________________= ____________________________________</FONT></DIV> <DIV> </DIV> <DIV><FONT face=3DArial 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W1VLW6el26/qnrOd3Mgl28OY2s6FWuIhXcRNitOy7Yr7eAxiIovbxV1eQqhd2t3cdaFzyl2W8t3I UEHdNd7j/QrKoICFARgarSaesg/lJV4BMV7rrV5e5F2zEF6Xol7uvd7wjS3ctd7iLSjz1V7gRd4y 0YCYGUZrfQvtHQvvhSHwfQxeWl/xxd/kRV8n0t+yqF+D2l/rBWCwEGBgOuD5XaW18NC4OamiIlwG 1qB+BR0WIR2uMcYJ3mAOpl8asqHs6eANkpAdwhvs0WARZqGAAAA7 ------=_NextPart_000_002B_01C3F194.4B8691B0-- From chemistry-request@ccl.net Thu Feb 12 07:20:17 2004 Received: from rojo2.usc.es (rojo2.usc.es [193.144.75.10]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1CCKGU6014537 for <chemistry:at:ccl.net>; Thu, 12 Feb 2004 07:20:17 -0500 Received: from localhost (rojo2 [127.0.0.1]) by rojo2.usc.es (Postfix) with ESMTP id C4EE0194C for <chemistry:at:ccl.net>; Thu, 12 Feb 2004 13:19:01 +0100 (CET) Received: from usuario-hmapt6w.usc.es (qfcronos.usc.es [193.144.74.154]) by rojo2.usc.es (Postfix) with ESMTP id 96D45193F for <chemistry:at:ccl.net>; Thu, 12 Feb 2004 13:19:01 +0100 (CET) Message-Id: <6.0.1.1.1.20040212130903.01ba7ea8:at:pop.usc.es> X-Sender: qftjesus:at:pop.usc.es X-Mailer: QUALCOMM Windows Eudora Version 6.0.1.1 Date: Thu, 12 Feb 2004 13:15:54 +0100 To: chemistry:at:ccl.net From: Jesus Rodriguez-Otero <qftjesus:at:usc.es> Subject: problems with SCRF=PCM Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed X-Virus-Scanned: by usc.es X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear CCLers, I have a problem with PCM. I want to use ethylene glycol as solvent (dielectric=37.7) In the keywords I put: scrf=(pcm,read) and at the end of the file EPS=37.7 These are the manual instructions. But in the output says: Solvent: WATER and the results are the water ones Which is the problem?? Jesus Rodriguez-Otero From chemistry-request@ccl.net Thu Feb 12 03:18:46 2004 Received: from exmails1.chem.ucla.edu (exmails1.chem.ucla.edu [169.232.134.2]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1C8IjU6003530 for <chemistry/at/ccl.net>; Thu, 12 Feb 2004 03:18:45 -0500 Received: from [169.232.128.44] (dial44.chem.ucla.edu [169.232.128.44]) (authenticated bits=0) by exmails1.chem.ucla.edu (8.12.8/8.12.8) with ESMTP id i1C8J17s027981; Thu, 12 Feb 2004 00:19:02 -0800 Mime-Version: 1.0 X-Sender: scerri/at/chlorine.chem.ucla.edu (Unverified) Message-Id: <p04320403bc50e65e3724@[169.232.128.44]> Date: Thu, 12 Feb 2004 00:18:40 -0800 To: CHEMED-L/at/MAILER.UWF.EDU From: Eric Scerri <scerri/at/chem.ucla.edu> Subject: Foundations of Chemistry Content-Type: multipart/alternative; boundary="============_-1135548573==_ma============" X-Spam-Status: No, hits=0.6 required=7.0 tests=HTML_40_50,HTML_FONT_BIG, HTML_MESSAGE autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net --============_-1135548573==_ma============ Content-Type: text/plain; charset="us-ascii" ; format="flowed" Please note that 2 complete issues of the journal Foundations of Chemistry for the year 2003 can be viewed on-line at http://www.kluweronline.com/issn/1386-4238 Then go to link for, journal contents. --============_-1135548573==_ma============ Content-Type: text/html; charset="us-ascii" <!doctype html public "-//W3C//DTD W3 HTML//EN"> <html><head><style type="text/css"><!-- blockquote, dl, ul, ol, li { margin-top: 0 ; margin-bottom: 0 } --></style><title>Foundations of Chemistry

Please note that 2 complete issues of the journal
Foundations of Chemistry
for the year 2003
can be viewed on-line at

http://www.kluweronline.com/issn/1386-4238

Then go to link for,
journal contents.






--============_-1135548573==_ma============-- From chemistry-request@ccl.net Thu Feb 12 09:45:04 2004 Received: from postoffice9.mail.cornell.edu (postoffice9.mail.cornell.edu [132.236.56.39]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1CEj3U6022003 for ; Thu, 12 Feb 2004 09:45:03 -0500 Received: from cornell.edu ([128.84.183.113]) by postoffice9.mail.cornell.edu (8.12.10/8.12.6) with ESMTP id i1CEjKmg016213; Thu, 12 Feb 2004 09:45:21 -0500 (EST) Date: Thu, 12 Feb 2004 09:45:22 -0500 Subject: Re: CCL:J.Comp.Chem. Style File Needed Content-Type: text/plain; charset=US-ASCII; format=flowed Mime-Version: 1.0 (Apple Message framework v553) Cc: chemistry$at$ccl.net To: Richard Gillilan From: Richard Gillilan In-Reply-To: Message-Id: <15BCEDBE-5D6A-11D8-B300-000393D59F68$at$cornell.edu> Content-Transfer-Encoding: 7bit X-Mailer: Apple Mail (2.553) X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Ok, now that I look at the WHOLE license file for the achemso package which is a separate file, it appears to be ok to copy any amount of the code and give it a new file name as long as proper credit for the used code is given to Mats Dahlgren, and it is clear in the header that I'm the one who should handle complaints and code fixes etc, rather than Mats. I can't really be responsible at this time, however, the changes are simple, here is my hack (use at your own risk): % REG: { "\textit{" swap$ * "}" * } FUNCTION {emphasize} { duplicate$ empty$ { pop$ "" } { "" swap$ * "" * } if$ } % { "\textsl{" swap$ * ",}" * } FUNCTION {slantc} { duplicate$ empty$ { pop$ "" } { "" swap$ * "," * } if$ } % { "\textbf{" swap$ * ",}" * } FUNCTION {emboldenc} { duplicate$ empty$ { pop$ "" } { "" swap$ * "," * } if$ } The official achemso can be found here: (http://www.homenet.se/matsd/latex/). Richard On Thursday, February 12, 2004, at 12:32 AM, Richard Gillilan wrote: > In an earlier message I offered to make available a modified version > of a bst > style file for Latex that does J. Comp. Chem. format. Now that I > examine the > copyright header (achemso.bst), I see that I may not distribute the > modified > form. Sorry to those who have asked. I may contact the copyright > holder to > ask permission or have the changes included in the official > distribution. > > Richard > From chemistry-request@ccl.net Thu Feb 12 04:16:31 2004 Received: from hartree4.UGent.be (hartree4.ugent.be [157.193.91.12]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1C9GTU6006002 for ; Thu, 12 Feb 2004 04:16:30 -0500 Received: from hartree4.UGent.be (localhost [127.0.0.1]) by hartree4.UGent.be (8.12.8/8.12.8) with ESMTP id i1C9LfER016165 for ; Thu, 12 Feb 2004 10:21:41 +0100 Received: from localhost (tom@localhost) by hartree4.UGent.be (8.12.8/8.12.8/Submit) with ESMTP id i1C9LbZh016161 for ; Thu, 12 Feb 2004 10:21:40 +0100 Date: Thu, 12 Feb 2004 10:21:36 +0100 (CET) From: Tom Kuppens To: CHEMISTRY$at$ccl.net Subject: SUM: G03 with Linda Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi there, I managed to get linda working. Here is a little summary: Marcel Swart ]did you try putting ]%NprocL=2 ]instead of ]%NPROCLINDA=2 Christoph Steinbeck ]First of all, my jobs contain the statement %nprocl=8. But your longer ]and uppercased statement might well be due to a newer version (I have ]G98 and linda). ]Secondly, there was a way of making linda insert debug statements into ]the gaussian log. That was very helpful to find the reason for not ]aquiring any workers. ]Thirdly, the compile script used to make a two version, one was g98 and ]g98l (for linda-enabled). If you mistake these, you'll never use Linda. ]Igor Filippov ] ]- use tcpdump to listen on the wire if gaussian/linda is actually ]trying to comminicate to other nodes Fernando D. Vila ]- Add the following lines to your .tsnet.config: ]Tsnet.Node.lindarsharg: ssh ]Tsnet.Node.lindarcparg: scp ]This makes linda use the secure versions. (Obviously, you have to have ]everythhing setup without a password). ] ]- For some reason I haven't discovered yet, ]parts of the directives you put in the .tsnet.config don't get passed to ]the Gaussian execution. Reading the Linda manual and checking some ]webpages, I found that you can pass the linda option to Gaussian using the ]GAUSS_LFLAGS env variable. Right now I have it setup as follows: ] ]setenv GAUSS_LFLAGS "-maxprocspernode 2 -wait 30" ] ]maxprocspernode was one of the directives that I couldn't get transmited ]to Gaussian. With this env variable Gaussian finds it. Jenn Sturm ] ]-the initial revisions of g03, at least in binary ]form, came with a bug where it only checked a user's primary group ]membership. So, for instance, my groups are: ] ]hamilton users staff ] ]and g03 was owned by group users. Since my primary group is hamilton, ]it wouldn't let me run *only* the linda binaries. ] ]To solve the problem, I had to run the following explicitly as root: ] ]chmod -R o+rX /usr/local/g98 ] ]to give the executables other-group execution privileges. ] ]If this is no help, have you tried to explicity request verbose ]reporting from Linda? To do so, I believe the command (tcsh) is ] ]setenv GAUSS_LFLAGS -vv ] ]and then run g03l I also found out that you have to set your environment on the workernode. I did it with the ssh ~/.ssh/environment settings. If there are other ways, let me know. Thanks for the help! Tom Kuppens Research group Quantumchemistry Department of Inorganic and Physical Chemistry WE06V Ghent University Krijgslaan 281 - S3, 9000 Ghent, Belgium Tel +32(0)9 264 4444 Fax +32(0)9 264 4983 -- http://allserv.UGent.be/~tkuppens ---- Yesterday I was a dog. Today I'm a dog. Tomorrow I'll probably still be a dog. Sigh! There's so little hope for advancement. -- Snoopy From chemistry-request@ccl.net Thu Feb 12 10:54:01 2004 Received: from webmail.mta.ca (postal.mta.ca [138.73.1.51]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1CFrwU6025902 for ; Thu, 12 Feb 2004 10:53:59 -0500 Received: from nobody by webmail.mta.ca with local (Exim 4.20) id 1ArJ9S-0003i1-Ig for chemistry)at(ccl.net; Thu, 12 Feb 2004 11:53:18 -0400 Received: from 156.34.176.150 ( [156.34.176.150]) as user kgdct)at(mailserv.mta.ca by webmail.mta.ca with HTTP; Thu, 12 Feb 2004 11:53:18 -0400 Message-ID: <1076601198.402ba16e86560)at(webmail.mta.ca> Date: Thu, 12 Feb 2004 11:53:18 -0400 From: Katie Doucet To: CCL Subject: Playing Frequencies in PowerPoint? MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit X-Originating-IP: 156.34.176.150 X-Spam-Status: No, hits=2.6 required=7.0 tests=RCVD_IN_DYNABLOCK, RCVD_IN_SORBS autolearn=no version=2.61 X-Spam-Level: ** X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net I was wondering if anyone knows of a way (either a program or a simple trick) to play frequencies in a Microsoft PowerPoint presentation without having to close out of the presentation. Thanks -K.Doucet From chemistry-request@ccl.net Thu Feb 12 03:25:39 2004 Received: from up.univ-mrs.fr (mailup.univ-mrs.fr [147.94.113.16]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1C8PaU6003697 for ; Thu, 12 Feb 2004 03:25:37 -0500 Received: from localhost (localhost [127.0.0.1]) by up.univ-mrs.fr (Postfix) with ESMTP id E6BF9A8FE2 for ; Thu, 12 Feb 2004 09:25:47 +0100 (CET) Received: from up.univ-mrs.fr ([127.0.0.1]) by localhost (mailup.univ-mrs.fr [127.0.0.1]) (amavisd-new, port 10024) with ESMTP id 147988-07 for ; Thu, 12 Feb 2004 09:25:45 +0100 (CET) Received: from mfd42u07.u-3mrs.fr (mfd42u07.u-3mrs.fr [193.51.220.39]) by up.univ-mrs.fr (Postfix) with ESMTP id 558C78D5D6 for ; Thu, 12 Feb 2004 09:25:45 +0100 (CET) From: Nicolas =?iso-8859-1?q?Ferr=E9?= Organization: LCTMM To: chemistry!at!ccl.net Subject: Re: CCL:J.Comp.Chem. Style File Needed Date: Thu, 12 Feb 2004 09:25:11 +0100 User-Agent: KMail/1.5.3 References: <1A858B72-5CC3-11D8-8DA6-000393A45DEC!at!scripps.edu> In-Reply-To: <1A858B72-5CC3-11D8-8DA6-000393A45DEC!at!scripps.edu> MIME-Version: 1.0 Content-Type: Multipart/Mixed; boundary="Boundary-00=_nhzKAjV0VHh/s86" Message-Id: <200402120925.11535.Nicolas.Ferre!at!up.univ-mrs.fr> X-Virus-Scanned: by amavisd-new at up.univ-mrs.fr X-Spam-Status: No, hits=0.0 required=7.0 tests=HOT_NASTY autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net --Boundary-00=_nhzKAjV0VHh/s86 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Content-Disposition: inline Le Mercredi 11 F=E9vrier 2004 19:50, Antitsa Stoycheva a =E9crit : > Continuing the discussion: Here is the jcc.bst file I generated three years ago with makebst (see CTAN= =20 archive). Hope this helps, =2D-=20 Dr. Nicolas Ferr=E9 Laboratoire de Chimie Th=E9orique et de Mod=E9lisation Mol=E9culaire UMR 6517 - CNRS Universit=E9 de Provence Case 521 - Facult=E9 de Saint-J=E9r=F4me Av. Esc. Normandie Niemen 13397 MARSEILLE Cedex 20 (FRANCE) Tel : (+33)4.91.28.27.33 Fax : (+33)4.91.28.87.58 --Boundary-00=_nhzKAjV0VHh/s86 Content-Type: text/x-diff; charset="iso-8859-1"; name="jcc.bst" Content-Transfer-Encoding: quoted-printable Content-Disposition: attachment; filename="jcc.bst" %% Nicolas Ferr=E9, Universit=E9 de Provence, generated with makebst %% %% This is file `jcc.bst', %% generated with the docstrip utility. %% %% The original source files were: %% %% merlin.mbs (with options: `annote,seq-no,nm-rev,ed-rev,jnrlst,dt-jnl,xm= th,jtit-x,jxper,jttl-rm,vnum-x,volp-com,jpg-1,num-xser,jnm-x,btit-rm,bt-rm,= pre-pub,edby,edbyy,blk-com,com-blank,pp,ed,abr,xedn,jabr,xand') %% ---------------------------------------- %% *** Journal of Computational Chemistry *** %%=20 %% Copyright 1994-2000 Patrick W Daly % =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D % IMPORTANT NOTICE: % This bibliographic style (bst) file has been generated from one or % more master bibliographic style (mbs) files, listed above. % % This generated file can be redistributed and/or modified under the terms % of the LaTeX Project Public License Distributed from CTAN % archives in directory macros/latex/base/lppl.txt; either % version 1 of the License, or any later version. % =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D % Name and version information of the main mbs file: % \ProvidesFile{merlin.mbs}[2000/05/04 4.01 (PWD, AO, DPC)] % For use with BibTeX version 0.99a or later %------------------------------------------------------------------- % This bibliography style file is intended for texts in ENGLISH % This is a numerical citation style, and as such is standard LaTeX. % It requires no extra package to interface to the main text. % The form of the \bibitem entries is % \bibitem{key}... % Usage of \cite is as follows: % \cite{key} =3D=3D>> [#] % \cite[chap. 2]{key} =3D=3D>> [#, chap. 2] % where # is a number determined by the ordering in the reference list. % The order in the reference list is that by which the works were original= ly % cited in the text, or that in the database. %--------------------------------------------------------------------- ENTRY { address annote author booktitle chapter edition editor howpublished institution journal key month note number organization pages publisher school series title type volume year } {} { label } INTEGERS { output.state before.all mid.sentence after.sentence after.block } =46UNCTION {init.state.consts} { #0 'before.all :=3D #1 'mid.sentence :=3D #2 'after.sentence :=3D #3 'after.block :=3D } STRINGS { s t} =46UNCTION {output.nonnull} { 's :=3D output.state mid.sentence =3D { " " * write$ } { output.state after.block =3D { add.period$ write$ newline$ "\newblock " write$ } { output.state before.all =3D 'write$ { add.period$ " " * write$ } if$ } if$ mid.sentence 'output.state :=3D } if$ s } =46UNCTION {output} { duplicate$ empty$ 'pop$ 'output.nonnull if$ } =46UNCTION {output.check} { 't :=3D duplicate$ empty$ { pop$ "empty " t * " in " * cite$ * warning$ } 'output.nonnull if$ } =46UNCTION {fin.entry} { add.period$ write$ newline$ annote missing$ { "\bibAnnoteFile{" cite$ * "}" * write$ newline$ } { "\bibAnnote{" cite$ * "}{" * annote * "}" * write$ newline$ } if$ } =46UNCTION {new.block} { output.state before.all =3D 'skip$ { after.block 'output.state :=3D } if$ } =46UNCTION {new.sentence} { output.state after.block =3D 'skip$ { output.state before.all =3D 'skip$ { after.sentence 'output.state :=3D } if$ } if$ } =46UNCTION {add.blank} { " " * before.all 'output.state :=3D } =46UNCTION {date.block} { ", " * before.all 'output.state :=3D % skip$ } =46UNCTION {not} { { #0 } { #1 } if$ } =46UNCTION {and} { 'skip$ { pop$ #0 } if$ } =46UNCTION {or} { { pop$ #1 } 'skip$ if$ } STRINGS {z} =46UNCTION {remove.dots} { 'z :=3D "" { z empty$ not } { z #1 #1 substring$ z #2 global.max$ substring$ 'z :=3D duplicate$ "." =3D 'pop$ { * } if$ } while$ } =46UNCTION {new.block.checka} { empty$ 'skip$ 'new.block if$ } =46UNCTION {new.block.checkb} { empty$ swap$ empty$ and 'skip$ 'new.block if$ } =46UNCTION {new.sentence.checka} { empty$ 'skip$ 'new.sentence if$ } =46UNCTION {new.sentence.checkb} { empty$ swap$ empty$ and 'skip$ 'new.sentence if$ } =46UNCTION {field.or.null} { duplicate$ empty$ { pop$ "" } 'skip$ if$ } =46UNCTION {emphasize} { duplicate$ empty$ { pop$ "" } { "{\em " swap$ * "\/}" * } if$ } =46UNCTION {tie.or.space.prefix} { duplicate$ text.length$ #3 < { "~" } { " " } if$ swap$ } =46UNCTION {capitalize} { "u" change.case$ "t" change.case$ } =46UNCTION {space.word} { " " swap$ * " " * } % Here are the language-specific definitions for explicit words. % Each function has a name bbl.xxx where xxx is the English word. % The language selected here is ENGLISH =46UNCTION {bbl.and} { "and"} =46UNCTION {bbl.etal} { "et~al." } =46UNCTION {bbl.editors} { "Eds." } =46UNCTION {bbl.editor} { "ed." } =46UNCTION {bbl.edby} { "edited by" } =46UNCTION {bbl.edition} { "edn." } =46UNCTION {bbl.volume} { "vol." } =46UNCTION {bbl.of} { "of" } =46UNCTION {bbl.number} { "no." } =46UNCTION {bbl.nr} { "no." } =46UNCTION {bbl.in} { "in" } =46UNCTION {bbl.inn} { "In" } =46UNCTION {bbl.pages} { "pp." } =46UNCTION {bbl.page} { "p." } =46UNCTION {bbl.chapter} { "Chapter" } =46UNCTION {bbl.techrep} { "Tech. Rep." } =46UNCTION {bbl.mthesis} { "Master's thesis" } =46UNCTION {bbl.phdthesis} { "Ph.D. thesis" } MACRO {jan} {"Jan."} MACRO {feb} {"Feb."} MACRO {mar} {"Mar."} MACRO {apr} {"Apr."} MACRO {may} {"May"} MACRO {jun} {"Jun."} MACRO {jul} {"Jul."} MACRO {aug} {"Aug."} MACRO {sep} {"Sep."} MACRO {oct} {"Oct."} MACRO {nov} {"Nov."} MACRO {dec} {"Dec."} MACRO {acmcs} {"ACM Comput. Surv."} MACRO {acta} {"Acta Inf."} MACRO {cacm} {"Commun. ACM"} MACRO {ibmjrd} {"IBM J. Res. Dev."} MACRO {ibmsj} {"IBM Syst.~J."} MACRO {ieeese} {"IEEE Trans. Software Eng."} MACRO {ieeetc} {"IEEE Trans. Comput."} MACRO {ieeetcad} {"IEEE Trans. Comput. Aid. Des."} MACRO {ipl} {"Inf. Process. Lett."} MACRO {jacm} {"J.~ACM"} MACRO {jcss} {"J.~Comput. Syst. Sci."} MACRO {scp} {"Sci. Comput. Program."} MACRO {sicomp} {"SIAM J. Comput."} MACRO {tocs} {"ACM Trans. Comput. Syst."} MACRO {tods} {"ACM Trans. Database Syst."} MACRO {tog} {"ACM Trans. Graphic."} MACRO {toms} {"ACM Trans. Math. Software"} MACRO {toois} {"ACM Trans. Office Inf. Syst."} MACRO {toplas} {"ACM Trans. Progr. Lang. Syst."} MACRO {tcs} {"Theor. Comput. Sci."} =46UNCTION {bibinfo.check} { swap$ duplicate$ missing$ { pop$ pop$ "" } { duplicate$ empty$ { swap$ pop$ } { swap$ pop$ } if$ } if$ } =46UNCTION {bibinfo.warn} { swap$ duplicate$ missing$ { swap$ "missing " swap$ * " in " * cite$ * warning$ pop$ "" } { duplicate$ empty$ { swap$ "empty " swap$ * " in " * cite$ * warning$ } { swap$ pop$ } if$ } if$ } STRINGS { bibinfo} INTEGERS { nameptr namesleft numnames } =46UNCTION {format.names} { 'bibinfo :=3D duplicate$ empty$ 'skip$ { 's :=3D "" 't :=3D #1 'nameptr :=3D s num.names$ 'numnames :=3D numnames 'namesleft :=3D { namesleft #0 > } { s nameptr "{vv~}{ll}{, f.}{, jj}" format.name$ bibinfo bibinfo.check 't :=3D nameptr #1 > { namesleft #1 > { ", " * t * } { "," * s nameptr "{ll}" format.name$ duplicate$ "others" =3D { 't :=3D } { pop$ } if$ t "others" =3D { " " * bbl.etal * } { " " * t * } if$ } if$ } 't if$ nameptr #1 + 'nameptr :=3D namesleft #1 - 'namesleft :=3D } while$ } if$ } =46UNCTION {format.names.ed} { format.names } =46UNCTION {format.authors} { author "author" format.names } =46UNCTION {get.bbl.editor} { editor num.names$ #1 > 'bbl.editors 'bbl.editor if$ } =46UNCTION {format.editors} { editor "editor" format.names duplicate$ empty$ 'skip$ { "," * " " * get.bbl.editor * } if$ } =46UNCTION {format.note} { note empty$ { "" } { note #1 #1 substring$ duplicate$ "{" =3D 'skip$ { output.state mid.sentence =3D { "l" } { "u" } if$ change.case$ } if$ note #2 global.max$ substring$ * "note" bibinfo.check } if$ } =46UNCTION {format.title} { title duplicate$ empty$ 'skip$ { "t" change.case$ } if$ "title" bibinfo.check } =46UNCTION {output.bibitem} { newline$ "\bibitem{" write$ cite$ write$ "}" write$ newline$ "" before.all 'output.state :=3D } =46UNCTION {n.dashify} { 't :=3D "" { t empty$ not } { t #1 #1 substring$ "-" =3D { t #1 #2 substring$ "--" =3D not { "--" * t #2 global.max$ substring$ 't :=3D } { { t #1 #1 substring$ "-" =3D } { "-" * t #2 global.max$ substring$ 't :=3D } while$ } if$ } { t #1 #1 substring$ * t #2 global.max$ substring$ 't :=3D } if$ } while$ } =46UNCTION {word.in} { bbl.in " " * } =46UNCTION {format.date} { "" duplicate$ empty$ year "year" bibinfo.check duplicate$ empty$ { swap$ 'skip$ { "there's a month but no year in " cite$ * warning$ } if$ * } { swap$ 'skip$ { swap$ " " * swap$ } if$ * } if$ } =46UNCTION {format.btitle} { title "title" bibinfo.check duplicate$ empty$ 'skip$ { } if$ } =46UNCTION {either.or.check} { empty$ 'pop$ { "can't use both " swap$ * " fields in " * cite$ * warning$ } if$ } =46UNCTION {format.bvolume} { volume empty$ { "" } { ", " * bbl.volume volume tie.or.space.prefix "volume" bibinfo.check * * series "series" bibinfo.check duplicate$ empty$ 'pop$ { swap$ bbl.of space.word * swap$ emphasize * } if$ "volume and number" number either.or.check } if$ } =46UNCTION {format.number.series} { volume empty$ { number empty$ { series field.or.null } { series empty$ { number "number" bibinfo.check } { output.state mid.sentence =3D { bbl.number } { bbl.number capitalize } if$ number tie.or.space.prefix "number" bibinfo.check * * bbl.in space.word * series "series" bibinfo.check * } if$ } if$ } { "" } if$ } =46UNCTION {format.edition} { edition duplicate$ empty$ 'skip$ { output.state mid.sentence =3D { "l" } { "t" } if$ change.case$ "edition" bibinfo.check " " * bbl.edition * } if$ } INTEGERS { multiresult } =46UNCTION {multi.page.check} { 't :=3D #0 'multiresult :=3D { multiresult not t empty$ not and } { t #1 #1 substring$ duplicate$ "-" =3D swap$ duplicate$ "," =3D swap$ "+" =3D or or { #1 'multiresult :=3D } { t #2 global.max$ substring$ 't :=3D } if$ } while$ multiresult } =46UNCTION {format.pages} { pages duplicate$ empty$ 'skip$ { duplicate$ multi.page.check { bbl.page swap$ n.dashify } { bbl.page swap$ } if$ tie.or.space.prefix "pages" bibinfo.check * * } if$ } =46UNCTION {first.page} { 't :=3D "" { t empty$ not t #1 #1 substring$ "-" =3D not and } { t #1 #1 substring$ * t #2 global.max$ substring$ 't :=3D } while$ } =46UNCTION {format.journal.pages} { pages duplicate$ empty$ 'pop$ { swap$ duplicate$ empty$ { pop$ pop$ format.pages } { ", " * swap$ first.page "pages" bibinfo.check * } if$ } if$ } =46UNCTION {format.vol.num.pages} { volume field.or.null duplicate$ empty$ 'skip$ { "volume" bibinfo.check } if$ format.journal.pages } =46UNCTION {format.chapter.pages} { chapter empty$ 'format.pages { type empty$ { bbl.chapter } { type "l" change.case$ "type" bibinfo.check } if$ chapter tie.or.space.prefix "chapter" bibinfo.check * * pages empty$ 'skip$ { ", " * format.pages * } if$ } if$ } =46UNCTION {format.booktitle} { booktitle "booktitle" bibinfo.check } =46UNCTION {format.in.ed.booktitle} { format.booktitle duplicate$ empty$ 'skip$ { editor "editor" format.names.ed duplicate$ empty$ 'pop$ { get.bbl.editor swap$ "," * " " * swap$ * swap$ "," * " " * swap$ * } if$ word.in swap$ * } if$ } =46UNCTION {empty.misc.check} { author empty$ title empty$ howpublished empty$ month empty$ year empty$ note empty$ and and and and and { "all relevant fields are empty in " cite$ * warning$ } 'skip$ if$ } =46UNCTION {format.thesis.type} { type duplicate$ empty$ 'pop$ { swap$ pop$ "t" change.case$ "type" bibinfo.check } if$ } =46UNCTION {format.tr.number} { number "number" bibinfo.check type duplicate$ empty$ { pop$ bbl.techrep } 'skip$ if$ "type" bibinfo.check swap$ duplicate$ empty$ { pop$ "t" change.case$ } { tie.or.space.prefix * * } if$ } =46UNCTION {format.article.crossref} { key duplicate$ empty$ { pop$ journal duplicate$ empty$ { "need key or journal for " cite$ * " to crossref " * crossref * w= arning$ } { "journal" bibinfo.check emphasize word.in swap$ * } if$ } { word.in swap$ * " " *} if$ " \cite{" * crossref * "}" * } =46UNCTION {format.crossref.editor} { editor #1 "{vv~}{ll}" format.name$ "editor" bibinfo.check editor num.names$ duplicate$ #2 > { pop$ "editor" bibinfo.check " " * bbl.etal * } { #2 < 'skip$ { editor #2 "{ff }{vv }{ll}{ jj}" format.name$ "others" =3D { "editor" bibinfo.check " " * bbl.etal * } { bbl.and space.word * editor #2 "{vv~}{ll}" format.name$ "editor" bibinfo.check * } if$ } if$ } if$ } =46UNCTION {format.book.crossref} { volume duplicate$ empty$ { "empty volume in " cite$ * "'s crossref of " * crossref * warning$ pop$ word.in } { bbl.volume swap$ tie.or.space.prefix "volume" bibinfo.check * * bbl.of space.wor= d * } if$ editor empty$ editor field.or.null author field.or.null =3D or { key empty$ { series empty$ { "need editor, key, or series for " cite$ * " to crossref " * crossref * warning$ "" * } { series emphasize * } if$ } { key * } if$ } { format.crossref.editor * } if$ " \cite{" * crossref * "}" * } =46UNCTION {format.incoll.inproc.crossref} { editor empty$ editor field.or.null author field.or.null =3D or { key empty$ { format.booktitle duplicate$ empty$ { "need editor, key, or booktitle for " cite$ * " to crossref "= * crossref * warning$ } { word.in swap$ * } if$ } { word.in key * " " *} if$ } { word.in format.crossref.editor * " " *} if$ " \cite{" * crossref * "}" * } =46UNCTION {format.org.or.pub} { 't :=3D "" address empty$ t empty$ and 'skip$ { t empty$ { address "address" bibinfo.check * } { t * address empty$ 'skip$ { ": " * address "address" bibinfo.check * } if$ } if$ } if$ } =46UNCTION {format.publisher.address} { publisher "publisher" bibinfo.warn format.org.or.pub } =46UNCTION {format.organization.address} { organization "organization" bibinfo.check format.org.or.pub } =46UNCTION {article} { output.bibitem format.authors "author" output.check crossref missing$ { journal remove.dots "journal" bibinfo.check "journal" output.check add.blank format.date "year" output.check date.block format.vol.num.pages output } { format.article.crossref output.nonnull format.pages output } if$ format.note output fin.entry } =46UNCTION {book} { output.bibitem author empty$ { format.editors "author and editor" output.check } { format.authors output.nonnull crossref missing$ { "author and editor" editor either.or.check } 'skip$ if$ } if$ format.btitle "title" output.check crossref missing$ { format.bvolume output format.number.series output format.publisher.address output } { format.book.crossref output.nonnull } if$ format.edition output ", " * format.date "year" output.check format.note output fin.entry } =46UNCTION {booklet} { output.bibitem format.authors output format.title "title" output.check howpublished "howpublished" bibinfo.check output address "address" bibinfo.check output format.date output format.note output fin.entry } =46UNCTION {inbook} { output.bibitem author empty$ { format.editors "author and editor" output.check } { format.authors output.nonnull crossref missing$ { "author and editor" editor either.or.check } 'skip$ if$ } if$ bbl.inn space.word * format.btitle "title" output.check crossref missing$ { format.publisher.address output } { format.book.crossref output.nonnull } if$ format.edition output ", " * format.date "year" output.check date.block add.blank format.pages "pages" output.check format.bvolume output format.number.series output format.note output fin.entry } =46UNCTION {incollection} { output.bibitem format.authors "author" output.check crossref missing$ { format.in.ed.booktitle "booktitle" output.check format.publisher.address output format.bvolume output format.number.series output format.edition output } { format.incoll.inproc.crossref output.nonnull } if$ format.date "year" output.check date.block add.blank format.pages "pages" output.check format.note output fin.entry } =46UNCTION {inproceedings} { output.bibitem format.authors "author" output.check crossref missing$ { format.in.ed.booktitle "booktitle" output.check publisher empty$ { format.organization.address output } { organization "organization" bibinfo.check output format.publisher.address output } if$ format.bvolume output format.number.series output format.pages output } { format.incoll.inproc.crossref output.nonnull format.pages output } if$ format.date "year" output.check date.block add.blank format.pages "pages" output.check format.note output fin.entry } =46UNCTION {conference} { inproceedings } =46UNCTION {manual} { output.bibitem author empty$ { organization "organization" bibinfo.check duplicate$ empty$ 'pop$ { output address "address" bibinfo.check output } if$ } { format.authors output.nonnull } if$ format.btitle "title" output.check author empty$ { organization empty$ { address "address" bibinfo.check output } 'skip$ if$ } { organization "organization" bibinfo.check output address "address" bibinfo.check output } if$ format.edition output format.date output format.note output fin.entry } =46UNCTION {mastersthesis} { output.bibitem format.authors "author" output.check format.btitle "title" output.check bbl.mthesis format.thesis.type output.nonnull school "school" bibinfo.warn output address "address" bibinfo.check output format.date "year" output.check format.note output fin.entry } =46UNCTION {misc} { output.bibitem format.authors output format.title output howpublished "howpublished" bibinfo.check output format.date output format.note output fin.entry empty.misc.check } =46UNCTION {phdthesis} { output.bibitem format.authors "author" output.check format.btitle "title" output.check bbl.phdthesis format.thesis.type output.nonnull school "school" bibinfo.warn output address "address" bibinfo.check output format.date "year" output.check format.note output fin.entry } =46UNCTION {proceedings} { output.bibitem editor empty$ { organization "organization" bibinfo.check output } { format.editors output.nonnull } if$ format.btitle "title" output.check format.bvolume output format.number.series output editor empty$ { publisher empty$ 'skip$ { format.publisher.address output } if$ } { publisher empty$ { format.organization.address output } { organization "organization" bibinfo.check output format.publisher.address output } if$ } if$ format.date "year" output.check format.note output fin.entry } =46UNCTION {techreport} { output.bibitem format.authors "author" output.check format.title "title" output.check format.tr.number output.nonnull institution "institution" bibinfo.warn output address "address" bibinfo.check output format.date "year" output.check format.note output fin.entry } =46UNCTION {unpublished} { output.bibitem format.authors "author" output.check format.title "title" output.check format.date output format.note "note" output.check fin.entry } =46UNCTION {default.type} { misc } READ STRINGS { longest.label } INTEGERS { number.label longest.label.width } =46UNCTION {initialize.longest.label} { "" 'longest.label :=3D #1 'number.label :=3D #0 'longest.label.width :=3D } =46UNCTION {longest.label.pass} { number.label int.to.str$ 'label :=3D number.label #1 + 'number.label :=3D label width$ longest.label.width > { label 'longest.label :=3D label width$ 'longest.label.width :=3D } 'skip$ if$ } EXECUTE {initialize.longest.label} ITERATE {longest.label.pass} =46UNCTION {begin.bib} { preamble$ empty$ 'skip$ { preamble$ write$ newline$ } if$ "\begin{thebibliography}{" longest.label * "}" * write$ newline$ "\providecommand{\bibAnnoteFile}[1]{%" write$ newline$ " \IfFileExists{#1}{\begin{quotation}\noindent\textsc{Key:} #1\\" write$ newline$ " \textsc{Annotation:}\ \input{#1}\end{quotation}}{}}" write$ newline$ "\providecommand{\bibAnnote}[2]{%" write$ newline$ " \begin{quotation}\noindent\textsc{Key:} #1\\" write$ newline$ " \textsc{Annotation:}\ #2\end{quotation}}" write$ newline$ } EXECUTE {begin.bib} EXECUTE {init.state.consts} ITERATE {call.type$} =46UNCTION {end.bib} { newline$ "\end{thebibliography}" write$ newline$ } EXECUTE {end.bib} %% End of customized bst file %% %% End of file `jcc.bst'. --Boundary-00=_nhzKAjV0VHh/s86-- From chemistry-request@ccl.net Thu Feb 12 02:58:31 2004 Received: from server.theo.chemie.tu-muenchen.de (server.theo.chemie.tu-muenchen.de [129.187.122.133]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1C7wUU6002883 for ; Thu, 12 Feb 2004 02:58:31 -0500 Received: by crease.theo.chemie.tu-muenchen.de (Postfix, from userid 547) id BF28CBAC2; Thu, 12 Feb 2004 08:58:44 +0100 (CET) Date: Thu, 12 Feb 2004 08:58:44 +0100 (CET) From: Mehdi Bounouar To: Olga Dmitrenko Cc: CHEMISTRY..at..ccl.net Subject: Re: CCL:Z-matrix input for Gamess-US wanted In-Reply-To: <200402112055.i1BKtJ8L016696..at..copland.udel.edu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.3 required=7.0 tests=UPPERCASE_25_50 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi, If you coordinates are Z-mat you should put NZVAR = 3, which is equal to 3N-6 and not 0. Mehdi > Dear all, > > I would much appreciate if somebody of you will kindly send me an example of > the Gamess-US > input with the Z-matrix which really works for GAMESS VERSION = 20 JUN 2002 > (R2). > Somehow... I have troubles to run simple example on methylene molecule (I > copied it > > from > http://www.npaci.edu/Resources/SciComp/Applications/GAMESS/gamess_sect3.html > : > > $CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE COORD=ZMT NZVAR=0 $END > $SYSTEM TIMLIM=2 MEMORY=100000 $END > $STATPT OPTTOL=1.0E-5 $END > $BASIS GBASIS=STO NGAUSS=2 $END > $GUESS GUESS=HUCKEL $END > $DATA > Methylene...1-A-1 state...RHF/STO-2G > Cnv 2 > > C > H 1 rCH > H 1 rCH 2 aHCH > > rCH=1.09 > aHCH=110.0 > $END > > I am getting "**** ERROR, NO $DATA GROUP WAS FOUND". > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY..at..ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST..at..ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jlabanow..at..nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > From chemistry-request@ccl.net Wed Feb 11 23:33:41 2004 Received: from kaveri.barc.ernet.in (kaveri.barc.ernet.in [203.197.30.3]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1C4XcU6026853 for >ccl.net>; Wed, 11 Feb 2004 23:33:40 -0500 Received: from apsara.barc.ernet.in (apsara.barc.ernet.in [192.168.1.21]) by kaveri.barc.ernet.in (Postfix) with ESMTP id EE7036283B; Thu, 12 Feb 2004 10:06:14 +0530 (IST) Received: from apsara.barc.ernet.in (apsara.barc.ernet.in [192.168.1.21]) by apsara.barc.ernet.in (8.11.6/8.11.6) with ESMTP id i1C4a4V18012; Thu, 12 Feb 2004 10:06:04 +0530 Date: Thu, 12 Feb 2004 10:06:04 +0530 (IST) From: "Dr.Tapan K.Ghanty" >apsara.barc.ernet.in> To: Olga Dmitrenko >UDel.Edu> Cc: CHEMISTRY<>ccl.net Subject: Re: CCL:Z-matrix input for Gamess-US wanted In-Reply-To: <200402112055.i1BKtJ8L016696<>copland.udel.edu> Message-ID: >apsara.barc.ernet.in> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-MailScanner-Information: Please contact the ISP for more information X-MailScanner: Found to be clean X-Spam-Status: No, hits=0.3 required=7.0 tests=UPPERCASE_25_50 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi, I am sure, you don't have the problem with Z-matrix, but rather your input file format is not proper. All the input cards (e.g. $CONTRL etc etc) should start > from the 2nd column in the input file, not from the first column. And that is why your input was not working. Here is the correct input file with the same z-mtrix as used by you: ----------------- begin of input ----------------------- $CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE COORD=ZMT NZVAR=0 $END $SYSTEM TIMLIM=2 MEMORY=100000 $END $STATPT OPTTOL=1.0E-5 $END $BASIS GBASIS=STO NGAUSS=2 $END $GUESS GUESS=HUCKEL $END $DATA Methylene...1-A-1 state...RHF/STO-2G Cnv 2 C H 1 rCH H 1 rCH 2 aHCH rCH=1.09 aHCH=110.0 $END ---------------end of input -------------------- With all the best, Tapan Ghanty ----------------------------------- Dr. Tapan Ghanty Theoretical Chemistry Section RC & CD Division, Chemistry Group, Bhabha Atomic Resaerch Centre, Mumbai 400 085, INDIA ------------------------------------ On Wed, 11 Feb 2004, Olga Dmitrenko wrote: > Dear all, > > I would much appreciate if somebody of you will kindly send me an example of > the Gamess-US > input with the Z-matrix which really works for GAMESS VERSION = 20 JUN 2002 > (R2). > Somehow... I have troubles to run simple example on methylene molecule (I > copied it > > from > http://www.npaci.edu/Resources/SciComp/Applications/GAMESS/gamess_sect3.html > : > > $CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE COORD=ZMT NZVAR=0 $END > $SYSTEM TIMLIM=2 MEMORY=100000 $END > $STATPT OPTTOL=1.0E-5 $END > $BASIS GBASIS=STO NGAUSS=2 $END > $GUESS GUESS=HUCKEL $END > $DATA > Methylene...1-A-1 state...RHF/STO-2G > Cnv 2 > > C > H 1 rCH > H 1 rCH 2 aHCH > > rCH=1.09 > aHCH=110.0 > $END > > I am getting "**** ERROR, NO $DATA GROUP WAS FOUND". > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY<>ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST<>ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jlabanow<>nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > From chemistry-request@ccl.net Thu Feb 12 15:42:16 2004 Received: from smtp1.hws.edu (smtp1.hws.edu [66.153.24.60]) by server.ccl.net (8.12.8/8.12.8) with SMTP id i1CKg8U7005926 for ; Thu, 12 Feb 2004 15:42:14 -0500 Received: from bexs2.hws.edu ([172.30.10.172]) by smtp1.hws.edu (SAVSMTP 3.1.1.32) with SMTP id M2004021214462323607 for ; Thu, 12 Feb 2004 14:46:23 -0500 X-MimeOLE: Produced By Microsoft Exchange V6.0.6487.1 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="utf-8" Subject: undergraduate computational chemistry conference Date: Thu, 12 Feb 2004 15:42:19 -0500 Message-ID: X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: undergraduate computational chemistry conference Thread-Index: AcPxqLUIFvisPrsvTTWmWIR8ktFdxA== From: "Parish, Carol" To: X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from base64 to 8bit by server.ccl.net id i1CKgGU6005938 We are pleased to announce the third national conference devoted solely to undergraduate computational chemistry, to be held atHamilton College in Clinton, NY, from July 29 - 31. This conference is a great opportunity for undergraduates to learn about the breadth of research in computational chemistry and to discuss their work with other undergraduate computational chemists as well as some leaders in the field. We have assembled an excellent group of speakers, all of whom will be available to speak with undergraduates about their work and on career opportunities in the field of computational chemistry. Our confirmed speakers are: Wendy Cornell (Novartis) Jimmie Doll (Brown University) Sharon Hammes-Schiffer (Pennsylvania State University) Rig Hernandez (Georgia Institute of Technology) Jurgen Schnitker (Wavefunction) Mark Tuckerman (New York University) Veronica Vaida (University of Colorado) Registration is $200 per faculty member, $100 per faculty guest, and $100 per undergraduate, and includes: Two nights accommodation in recently-renovated college housing All meals, including a barbecue dinner on Thursday, July 29 Social activities on Thursday and Friday nights. Costs for the conference are being kept low due to generous financial assistance from Hamilton College and SGI. Registration materials are due by July 5th, and the deadline for poster abstract submission is July 14th. Undergraduates are strongly encouraged to submit posters. Additional details about accommodations and poster submission, including registration forms, can be found on the web site http://mars.chem.hamilton.edu/conference . Sincerely, George C. Shields Carol Parish Hamilton College Hobart & William Smith Colleges Jeffery Greathouse Maria Gomez St. Lawrence University Mt. Holyoke College Marc Zimmer Ramona Taylor Connecticut College College of the Holy Cross From chemistry-request@ccl.net Thu Feb 12 14:30:47 2004 Received: from mprelay.uc.edu (mprelay.uc.edu [129.137.3.48]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1CJUjU6003301 for ; Thu, 12 Feb 2004 14:30:46 -0500 Received: from mirapoint.uc.edu (mirapoint.uc.edu [10.23.4.254]) by mprelay.uc.edu (Mirapoint Messaging Server MOS 3.3.6-GR) with ESMTP id AQQ18287; Thu, 12 Feb 2004 14:31:03 -0500 (EST) Received: from dhcp-539-820.geop.uc.edu (dhcp-539-820.geop.uc.edu [10.44.3.95]) by mirapoint.uc.edu (Mirapoint Messaging Server MOS 3.3.6-GR) with ESMTP id AOM41520; Thu, 12 Feb 2004 14:31:03 -0500 (EST) Subject: Summary: One question about protein-ligand binding From: Baoqiang Cao Reply-To: caobg:at:email.uc.edu To: chemistry:at:ccl.net In-Reply-To: <200402110845.i1B8jZKE060784:at:ds10.itodys.jussieu.fr> References: <200402110845.i1B8jZKE060784:at:ds10.itodys.jussieu.fr> Content-Type: text/plain Message-Id: <1076614589.2668.7.camel:at:dhcp-539-820.geop.uc.edu> Mime-Version: 1.0 X-Mailer: Ximian Evolution 1.4.4-8mdk Date: Thu, 12 Feb 2004 14:36:31 -0500 Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear All, I was asked to summarize this question replies. After got some responses > from very nice person, it is time to share what I got. Please see below if you like. 1,(Michel Petitjean) "If you have the atom-pairs (e.g. H bonds, vdw bonds), a simple criterion is the variance: M.Petitjean, Internet Electron J. Mol. Des., 2002,1[4],185-192. http://www.biochempress.com Note: a rigorous definition of what is a cavity is difficult. The ALVIS software offer a simple approach, but it is parametrized by the radius of the probe." And Michel also suggested one freeware: "The freeware DOG http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html#DOG" 2,(Hide the author's name, required by the author) "You can you Autodock3.0 or Cerius2 to calculate it quantitatively." Have a nice weekend. Best, Cao > >Dear all, > > > >Are there any ways to quantitatively describe how well a ligand fits a > >protein cavity? Any clues will be welcome! > >Thanks. > > > >Best, > > Cao > > If you have the atom-pairs (e.g. H bonds, vdw bonds), a simple criterion > is the variance: > M.Petitjean, Internet Electron J. Mol. Des., 2002,1[4],185-192. > http://www.biochempress.com > > Note: a rigorous definition of what is a cavity is difficult. The ALVIS > software offer a simple approach, but it is parametrized by the > radius of the probe. > > Michel Petitjean, Email: petitjean:at:itodys.jussieu.fr > ITODYS (CNRS, UMR 7086) ptitjean:at:ccr.jussieu.fr > http://petitjeanmichel.free.fr/itoweb.petitjean.html > http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY:at:ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST:at:ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jlabanow:at:nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > From chemistry-request@ccl.net Thu Feb 12 18:09:08 2004 Received: from ultra.chem.ucsb.edu (ultra.chem.ucsb.edu [128.111.114.119]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i1CN97U6012575 for ; Thu, 12 Feb 2004 18:09:08 -0500 Received: from localhost (localhost [127.0.0.1]) by ultra.chem.ucsb.edu (Postfix) with ESMTP id 948795028A; Thu, 12 Feb 2004 15:09:20 -0800 (PST) Received: from ultra.chem.ucsb.edu ([127.0.0.1]) by localhost (ultra [127.0.0.1]) (amavisd-new, port 10024) with ESMTP id 13663-07; Thu, 12 Feb 2004 15:09:14 -0800 (PST) Received: by ultra.chem.ucsb.edu (Postfix, from userid 3016) id 40E575028B; Thu, 12 Feb 2004 15:09:08 -0800 (PST) Received: from localhost (localhost [127.0.0.1]) by ultra.chem.ucsb.edu (Postfix) with ESMTP id 1BB0C17070B; Thu, 12 Feb 2004 15:09:07 -0800 (PST) Date: Thu, 12 Feb 2004 15:09:07 -0800 (PST) From: John Bushnell To: Katie Doucet Cc: CCL Subject: Re: CCL:Playing Frequencies in PowerPoint? In-Reply-To: <1076601198.402ba16e86560-.at.-webmail.mta.ca> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Virus-Scanned: by amavisd-new X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net I think the trick is to somehow make your animation into an animated gif. Then you can just stick it into your presentation and it will play automatically. There are probably a variety of ways/programs to do this. Alternatively, you can make a jpeg movie, though I'm told that you then have to include the movie files along with the presentation. Sorry not to be more specific - John On Thu, 12 Feb 2004, Katie Doucet wrote: > > I was wondering if anyone knows of a way (either a program or a simple trick) > to play frequencies in a Microsoft PowerPoint presentation without having to > close out of the presentation. > > Thanks > -K.Doucet > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY-.at.-ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST-.at.-ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jlabanow-.at.-nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > >