From laaksone@csc.fi Sat Jan 25 04:18:43 1997 Received: from voxopm.minedu.fi for laaksone@csc.fi by www.ccl.net (8.8.3/950822.1) id DAA23974; Sat, 25 Jan 1997 03:58:38 -0500 (EST) Received: from localhost (laaksone@localhost) by voxopm.minedu.fi (8.8.4/8.8.4/CSC/SGI-2.59) with SMTP id KAA07369; Sat, 25 Jan 1997 10:58:34 +0200 (EET) X-Authentication-Warning: voxopm.minedu.fi: laaksone owned process doing -bs Date: Sat, 25 Jan 1997 10:58:34 +0200 (EET) From: Leif Laaksonen X-Sender: laaksone@voxopm.minedu.fi To: Konrad Hinsen cc: berriz@chasma.harvard.edu, chemistry@www.ccl.net Subject: Re: CCL:Quanta, Alphas & Xterms (Was: "Running Quanta remotely" & "Quanta on AlphaStation clones?") In-Reply-To: <199701241813.TAA18572@lmspc2.ibs.fr> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, I myself believe that X and X terminals are almost obsolete in the sence of molecular modelling. Today we have OpenGL (as pointed out by Konrad Hinsen) which is available for almost any thinkable hardware. The problem still is the graphical user interface. By using for example Tcl/Tk and OpenGL it is possible to write modelling applications that run on all platforms from Windows NT/95 to Unix boxes. The whole modelling business is in deep problem because it would be possible to run all the commercial modelling applications on inexpensive PC:s but it would be impossible for the commercial software houses to charge the horrifying prices we have to pay today for the software because the PC:s are so inexpensive and noone would pay five times more for the software than for the hardware. In fact I see the reluctance, by the software houses, to port applications to the DEC platform as the last desperate attempt to only support Unix versions, because DEC is also active in the Win NT field. To clearify my opinion I'm not working for DEC and I don't even collaborate with them but I believe they have a sound attitude. Regards, -leif laaksonen On Fri, 24 Jan 1997, Konrad Hinsen wrote: > > it). I tend to associate this narrow hardware dependance with the > > personal computer world; it seems to me extraordinary (not to say > > archaic) by Unix world standards. I guess I'm an idealist... > > Writing portable graphics applications used to be a nightmare, and > even today it remains difficult. Before OpenGL (which isn't that old) > there was no 3d graphics library which could pretend to be powerful > enough and universal. And even OpenGL is not generally usable via X > terminals. I guess we'll have to wait a few more years before remote > (and efficient!) use of 3d graphics programs becomes standard. > > Right now the most reasonable option would be to provide each program > in two versions: one using optimized OpenGL for local graphics hardware, > and one using Mesa for remote use. That's for example the approach used > by VRweb (a free VRML viewer). > > I find the lack of Alpha support more surprising, given the popularity > of Alphas today. But it is not untypical for commercial Unix software > to be available on selected systems only. Keeping several ports up to > date and providing support for it is, after all, an expensive task. > Having a clear market dominance makes the decision to limit systems > even easier. In fact, this is one of the main arguments for free > software in the sense of the FSF: anyone is free to port such programs > to any hardware, so it has a good chance of happening. > > -- > ------------------------------------------------------------------------------- > Konrad Hinsen | E-Mail: hinsen@ibs.ibs.fr > Laboratoire de Dynamique Moleculaire | Tel.: +33-4.76.88.99.28 > Institut de Biologie Structurale | Fax: +33-4.76.88.54.94 > 41, av. des Martyrs | Deutsch/Esperanto/English/ > 38027 Grenoble Cedex 1, France | Nederlands/Francais > ------------------------------------------------------------------------------- > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: hinsen@lmspc2.ibs.fr > -- Original Sender From: Address: hinsen@ibs.ibs.fr > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > > ------------------------------------------------------------------- Leif Laaksonen | Center for Scientific Computing | Phone: 358 9 4572378 P.O. Box 405 | Mobile: 358 400425203 FIN-02101 Espoo | Telefax: 358 9 4572302 FINLAND | Mail: Leif.Laaksonen@csc.fi -------- URL: http://laaksonen.csc.fi/leif.laaksonen.html --------- From luca@lcfs.chim.unifi.it Sat Jan 25 06:18:43 1997 Received: from cesit1.unifi.it for luca@lcfs.chim.unifi.it by www.ccl.net (8.8.3/950822.1) id FAA24218; Sat, 25 Jan 1997 05:55:44 -0500 (EST) Received: from uranium (193.52.207.118) by CESIT1.UNIFI.IT (PMDF V5.0-4 #3688) id <01IEMNR7O5PC000TG1@CESIT1.UNIFI.IT> for chemistry@www.ccl.net; Sat, 25 Jan 1997 11:55:29 +0100 (MET) Date: Sat, 25 Jan 1997 12:00:21 +0100 From: Luca Pedocchi Subject: again IPs Sender: root@CESIT1.UNIFI.IT To: chemistry@www.ccl.net Message-id: <32E9E7C5.10C546DA@lcfs.chim.unifi.it> Organization: Department of Chemistry MIME-version: 1.0 X-Mailer: Mozilla 3.01 (X11; I; Linux 2.0.0 i586) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit Sirs, maybe my quetion was not clearly posed. I didn't ask theoretical information on HOW to calculate IPs, I already did it by myself and published a couple of papers with delta-SCF, generalized ground state and so on. I already knew papers from Chong and I already dealt with IPs of adsorbed CO on metal clusters. I did it with deMon, a pretty good DFT code from Montreal, and I had interest in the challenge deMon - Gaussian. The final answer seems to me the following: with gaussian94 it is impossible to localize a hole in a molecular orbital. Is it correct? And please, no more teaching. Regards Luca -- Dr. Luca Pedocchi Laboratorio di Chimica Fisica delle Interfasi via Cavour, 82 - 50129 Firenze - ITALY http://lcfs.chim.unifi.it/solid/pedocchi e-mail luca@lcfs.chim.unifi.it phone +39-55-2757793 fax +39-55-219802 Non esistono uomini cattivi, se sono cucinati bene (Stefano Benni) From jkl@ccl.net Sat Jan 25 12:29:48 1997 Received: from bedrock.ccl.net for jkl@ccl.net by www.ccl.net (8.8.3/950822.1) id MAA25491; Sat, 25 Jan 1997 12:28:05 -0500 (EST) Received: from krakow.ccl.net for jkl@ccl.net by bedrock.ccl.net (8.8.3/950822.1) id MAA22670; Sat, 25 Jan 1997 12:28:00 -0500 (EST) From: Jan Labanowski Received: for jkl@ccl.net by krakow.ccl.net (8.8.3/920428.1525) id MAA06725; Sat, 25 Jan 1997 12:27:58 -0500 (EST) Date: Sat, 25 Jan 1997 12:27:58 -0500 (EST) Message-Id: <199701251727.MAA06725@krakow.ccl.net> To: chemistry@www.ccl.net Subject: Please, more teaching... In-Reply-To: Mail from 'Luca Pedocchi ' dated: Sat, 25 Jan 1997 12:00:21 +0100 Cc: jkl@ccl.net Dear Brothers and Sisters in CCL... Your coordinator speaking... (as usually off topic...). Commenting on the last line of one of the messages (WHICH IS, I ADMIT TAKEN OUT OF THE CONTEXT -- Sorry about it!!!): > And please, no more teaching. Ou contraire!!! Please, do a lot of teaching!!! We have a lot of people on the list who are interested in background too... If you have some overviews, hand-outs, cheat-sheets, software, any usefull stuff in the context of CCL, please post it to the list (if it is short), or deposit materials in archives of CCL (contact me any time if you have questions...). Please share and have a nice feeling of doing good in the time when science and education is often about money (nothing wrong with it, but let us also have some fun in the process, and keep our souls well nourished... We are the intelectual cream, we do it for the humanity, aren't we?. You bet we are, even if there is a price tag...). This is not to start a flame war, but just a friendly reminder that many of us enjoy the education which is brought by the list. Myself included. So, do not be hesitant to include the background info in your message. We have students and educators, and newbies, and we teach and have our niches and want to learn more... No, this is not about pushing the list to a highschool level, but about sharing... Not everybody is an expert in everything, and it is nice to have general idea, and know whom to ask... And for those of us who are pragmatic (we all are...): It is nothing wrong with generating the need, and then feeling it up, and generating a new one. We are a step ahead, aren't we? And if you want to learn? -- Please ask good questions... I am sure I motivated some people. I am a nice fellow and a jovial person, and do motivation well. And if you have collected your answers, please make a summary (trim the headers, long signatures, and try to cut the redundant info), and post it to the list. I enjoy them -- I hope more people do too... Thanks and sorry... Please, do not continue this topic on the list. It is my job to so soul searching here, so do not get into unfair competition {:-)}. Jan Labanowski jkl@ccl.net P.S. Yes, we work on improving infrastructure and the contents of the list quite intensively, and we will have some goodies at spring time... From yu@infiniti.wavefun.com Sat Jan 25 15:18:46 1997 Received: from volvo.wavefun.com for yu@infiniti.wavefun.com by www.ccl.net (8.8.3/950822.1) id PAA26534; Sat, 25 Jan 1997 15:04:03 -0500 (EST) Received: by volvo.wavefun.com (931110.SGI/930416.SGI) for CHEMISTRY@www.ccl.net id AA21282; Sat, 25 Jan 97 12:04:52 -0800 Received: from infiniti.wavefun.com(198.147.95.4) by volvo.wavefun.com via smap (V1.3) id sma021280; Sat Jan 25 12:04:30 1997 Received: from ) by infiniti.wavefun.com (931110.SGI/950213.SGI.AUTOCF) id AA22023 for @volvo.wavefun.com:gabri@iris.chimfarm.unipg.it; Sat, 25 Jan 97 12:03:17 -0800 From: "Jianguo Yu" Message-Id: <9701251203.ZM22021@infiniti.wavefun.com> Date: Sat, 25 Jan 1997 12:03:17 -0800 Reply-To: yu@wavefun.com X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: CHEMISTRY@www.ccl.net Subject: Re: How to implement new parameters in MOPAC 6.0 Cc: gabri@iris.chimfarm.unipg.it Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii On Jan 24, 6:33am, Gabriele Costantino wrote: > Subject: CCL:M:How to implement new parameters in MOPAC 6.0 > Hi CCL friends: > just a simple question. I would like to add a new element to Mopac 6.0 (i.e Fe > or Rh). I have modified the block.f routine by adding the new PM3 parameter > definition (USS, USP....). When tested on a simple compound, however, the > program stops with the message "DATA ARE NOT AVAILABLE FOR ELEMENT ...". > The same thing happens if the EXTERNAL keyword is added to force the program to > read an external parameter files. > Any suggestion will be welcome > Thanks > > Renato Rovito > Undegraduate student > Universita' di Perugia (Italy) > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: gabri@iris.chimfarm.unipg.it > -- Original Sender From: Address: gabri@iris.chimfarm.unipg.it > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > >-- End of excerpt from Gabriele Costantino In my knowledge, it's difficult (even impossible) to add parameters for Fe and Rh into MOPAC, because in MOPAC, atoms can't hold d orbitals, but for the transition metals, as Fe and Rh, the d functions are essential. I think the logic structure of MOPAC can't go to transition metals even you only plan to calculate s and p orbitals for them (like you did). There exists a few of semiempirical programs being able to calculate transition metal compounds with d orbitals, such as MNDO93, AMPAC, ZINDO and our SPARTAN. If you want to calculate the transition metal compounds, yuo may need to choose from above programs. Jianguo Yu -- +-----------------------+------------------+-------------------------+ |Jianguo Yu, Ph.D. | ______________ | E-Mail: yu@wavefun.com | |Computational Chemist | \ _________ / | Phone: (714)955-2120 | |Wavefunction Inc. | \ \\\\\\\\/ | Fax: (714)955-2118 | |18401 Von Karman | \ \\\\\/ | "The doctrines observe | |Suite 370 | \ \\/ | nature" | |Irvine, CA 92612 | \/ | Lao-tzu (604-531 B.C.)| +-----------------------+------------------+-------------------------+ From D.van.der.Spoel@chem.rug.nl Sat Jan 25 17:18:49 1997 Received: from mailhost.rug.nl for D.van.der.Spoel@chem.rug.nl by www.ccl.net (8.8.3/950822.1) id QAA27003; Sat, 25 Jan 1997 16:49:40 -0500 (EST) From: Received: from rugch4.chem.rug.nl by mailhost with SMTP (XT-PP) with ESMTP; Sat, 25 Jan 1997 22:49:21 +0100 Received: from rugmd2 by rugch4.chem.rug.nl (WAA13633); Sat, 25 Jan 1997 22:49:35 +0100 (MET) Received: (from spoel@localhost) by rugmd2 (950413.SGI.8.6.12/950213.SGI.AUTOCF) id WAA11355 for chemistry@www.ccl.net; Sat, 25 Jan 1997 22:50:06 +0100 Message-Id: <199701252150.WAA11355@rugmd2> Subject: Quanta etc. To: chemistry@www.ccl.net Date: Sat, 25 Jan 1997 22:50:05 +0100 (MET) Reply-To: D.van.der.Spoel@chem.rug.nl X-Mailer: ELM [version 2.4 PL25] Content-Type: text Hi Modellers. The last few days, a lot of messages about the use of Quanta on non-SGI machines appeared on the CCL. We have quanta running on a dedicated SGI box, and I tried to run it over the net once, setting the display to another SGI machine. This does work, but it is useless, because it is horrendously slow. The main conclusion from the postings in my opinion therefore is: Quanta is usable only on your local SGI box Although we have a lot of SGIs around our lab, and they work nicely, they are certainly not the fastest workstations you can buy. Furthermore, there are many alternatives to large parts of Quanta in public domain (FREE) software packages. Although these packages may require some more work to get running, but you can run the software on any machine you like. Some examples: Visualisation: check out VMD (http://www.ks.uiuc.edu) Molecular Dynamics: check out GROMACS (http://rugmd0.chem.rug.nl/~gmx) Ab Initio: check out GAMESS To conclude, spend your money on fast hardware, so you can do more science. David, ________________________________________________________________________ Dr. Ir. David van der Spoel Dept. of Biophysical Chemistry s-mail: Nijenborgh 4, 9747 AG Groningen, The Netherlands. e-mail: spoel@chem.rug.nl www: http://rugmd0.chem.rug.nl/~spoel phone: 31-50-3634327 fax: 31-50-3634800 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ From d3g359@fido.pnl.gov Sat Jan 25 19:18:49 1997 Received: from pnl.gov for d3g359@fido.pnl.gov by www.ccl.net (8.8.3/950822.1) id SAA27328; Sat, 25 Jan 1997 18:29:06 -0500 (EST) Received: from fido.pnl.gov by pnl.gov (PMDF V4.3-13 #6012) id <01IEMV83WRB490OTW6@pnl.gov>; Sat, 25 Jan 1997 15:29:07 -0800 (PST) Received: by fido.pnl.gov (951211.SGI.8.6.12.PATCH1042/951211.SGI.AUTO) for CHEMISTRY@www.ccl.net id PAA23182; Sat, 25 Jan 1997 15:27:19 -0800 Date: Sat, 25 Jan 1997 15:27:19 -0800 From: d3g359@fido.pnl.gov (John Nicholas) Subject: TiO2 To: CHEMISTRY@www.ccl.net Message-id: <199701252327.PAA23182@fido.pnl.gov> Content-transfer-encoding: 7BIT All, I have been looking for ab initio and DFT calculations on TiO2 (the molecule). So far journal and databases searches find nothing. Anybody doing work on this molecule or know of published calculations? Thanks, John ------------------------------------------------------------------------------ John Nicholas Office: (509) 375-6559 Senior Research Scientist FAX: (509) 375-6631 Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Mailstop K1-96 Richland, WA 99352 ------------------------------------------------------------------------------ From d3g359@fido.pnl.gov Sat Jan 25 19:26:33 1997 Received: from pnl.gov for d3g359@fido.pnl.gov by www.ccl.net (8.8.3/950822.1) id SAA27324; Sat, 25 Jan 1997 18:27:15 -0500 (EST) Received: from fido.pnl.gov by pnl.gov (PMDF V4.3-13 #6012) id <01IEMV5SFTPS90P83Y@pnl.gov>; Sat, 25 Jan 1997 15:27:15 -0800 (PST) Received: by fido.pnl.gov (951211.SGI.8.6.12.PATCH1042/951211.SGI.AUTO) for CHEMISTRY@www.ccl.net id PAA23119; Sat, 25 Jan 1997 15:25:26 -0800 Date: Sat, 25 Jan 1997 15:25:26 -0800 From: d3g359@fido.pnl.gov (John Nicholas) Subject: BhandhLYP To: CHEMISTRY@www.ccl.net Message-id: <199701252325.PAA23119@fido.pnl.gov> Content-transfer-encoding: 7BIT All, what is the current opinion on the Becke half and half LYP functional? It appears that this functional is not in keeping with the theory reported in Becke's original "half-and half" (JCP) paper. I notice that Gaussian eliminated this option from the current verion. Any comments? ------------------------------------------------------------------------------ John Nicholas Office: (509) 375-6559 Senior Research Scientist FAX: (509) 375-6631 Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Mailstop K1-96 Richland, WA 99352 ------------------------------------------------------------------------------ From ccl@www.ccl.net Fri Jan 24 11:18:34 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id KAA09355; Fri, 24 Jan 1997 10:58:07 -0500 (EST) Received: from smaug.physics.mun.ca for uli@smaug.physics.mun.ca by bedrock.ccl.net (8.8.3/950822.1) id KAA00128; Fri, 24 Jan 1997 10:57:59 -0500 (EST) Received: by smaug.physics.mun.ca (940816.SGI.8.6.9/911001.SGI) id MAA08373; Fri, 24 Jan 1997 12:28:38 -0330 Date: Fri, 24 Jan 1997 12:28:38 -0330 (NST) From: Uli Salzner To: ccl Subject: g94/DFT Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi everybody, using the DFT user defined methods in G94, user's reference p.61-62, I am trying to construct something like a half/half functional. From the B3LYP description (p.61) I gather the coefficients to be: 0.8 for Slater, 0.2 for HF, 0.72 for Becke, 0.19 for VWN, and 0.81 for LYP. If I transfer this to the formula below I get: P1=1.0, P2=0.2, P3=0.72, P4=0.8, P5=0.81, and P6=0.19 According to the B3LYP example on p. 62 the coefficients should be: P1=1.0, P2=0.8, P3=0.2, P4=0.72, P5=0.19, and P6=0.81 My question is, have I mixed up something or is there a problem with this example? Since it would lead to fatal errors, if I got these coefficients mixed up, I would be very grateful for commends. Thanks in advance, Uli Ulrike Salzner Department of Chemistry Memorial University of Newfoundland St. Johns, NF A1B 2N5 Canada Tel.: (709) 737-2151 Email:uli@smaug.physics.mun.ca From L330%SUEARN2.BITNET@mps.ohio-state.edu Fri Jan 24 15:18:34 1997 Received: from phyas1.mps.ohio-state.edu for L330%SUEARN2.BITNET@mps.ohio-state.edu by www.ccl.net (8.8.3/950822.1) id OAA20251; Fri, 24 Jan 1997 14:23:49 -0500 (EST) From: Received: from SUEARN2.BITNET (MAILER@SUEARN2) by MPS.OHIO-STATE.EDU (PMDF V5.0-6 #15327) id <01IELEMJE28W8WXEA3@MPS.OHIO-STATE.EDU> for CHEMISTRY@www.ccl.net; Fri, 24 Jan 1997 14:22:48 -0500 (EST) Date: Fri, 24 Jan 1997 22:18 +0000 (MSK) Subject: G-94 time for DEC Alpha / HP server To: CHEMISTRY@www.ccl.net Message-id: <01IELEMJFJXU8WXEA3@MPS.OHIO-STATE.EDU> Content-transfer-encoding: 7BIT Sorry, do somebody know the G-94 test 178 run times for DEC Alpha 8200/8400 ( any frequency ) and HP server S - class , especially for more than one processor . Nick From walt@panix.com Fri Jan 24 15:46:50 1997 Received: from panix3.panix.com for walt@panix.com by www.ccl.net (8.8.3/950822.1) id OAA21252; Fri, 24 Jan 1997 14:53:04 -0500 (EST) Received: from localhost (walt@localhost) by panix3.panix.com (8.8.4/8.7/PanixU1.3) with SMTP id OAA04307; Fri, 24 Jan 1997 14:52:55 -0500 (EST) Date: Fri, 24 Jan 1997 14:52:55 -0500 (EST) From: Walter Polkosnik To: Gabriel Berriz cc: chemistry@www.ccl.net Subject: Re: CCL:Quanta, Alphas & Xterms (Was: "Running Quanta remotely" & "Quanta on AlphaStation clones?") In-Reply-To: <9701241439.AA24925@chasma.harvard.edu> Message-ID: Errors-To: walt@panix.com MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Fri, 24 Jan 1997, Gabriel Berriz wrote: > > This sure is a confusing issue. I recall hearing before something > like what you write here, and I have had some e-mail responses along > the same lines as yours, but below are a couple excerpts from e-mail > sent to me by two different MSI folks in response to this CCL query: > > As far as running Quanta remotely, this can *not* be done using > X emulation. We had, at some time in the past, done some work > running Quanta with DGL, and the core visualization seemed to > run fine, but it was quite slow, and there were difficulties with > a lot of the more expert functions. > > ...QUANTA will not work over X, it requires local graphics > hardware. > I was responding with my experience with earlier verions of Quanta, I wasn't aware they removed this facility in the latest version. I don't remeber any difficulties with the 'expert' functions (whatever they are), but I do remeber it being slow at times, mainly when accessing it from another building - but this was probably due to the network. Whenever I was on the local ethernet segment things didn't seem much slower at all. It's too bad it's not supported at all anymore, it's very useful to be able to do things remotely at times. In fact, I know a lab which has gone over to exactly your scheme (servers + X terminals), but fortunately they use other software. -- Walter Polkosnik walt@panix.com Physics Department http://www.physics.qc.edu/~walt Queens College, City University of New York (718)-997-3364 voice Credo quia absurdum est. (718)-997-3349 fax From ccl@www.ccl.net Fri Jan 24 22:18:38 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id VAA22912; Fri, 24 Jan 1997 21:34:26 -0500 (EST) Received: from panix3.panix.com for walt@panix.com by bedrock.ccl.net (8.8.3/950822.1) id VAA18361; Fri, 24 Jan 1997 21:34:24 -0500 (EST) Received: from localhost (walt@localhost) by panix3.panix.com (8.8.4/8.7/PanixU1.3) with SMTP id VAA09701 for ; Fri, 24 Jan 1997 21:34:26 -0500 (EST) Date: Fri, 24 Jan 1997 21:34:26 -0500 (EST) From: Walter Polkosnik To: chemistry@ccl.net Subject: Quanta and X terminals Message-ID: Errors-To: walt@panix.com MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Fri, 24 Jan 1997, Dr. David N. Haney wrote: > > Of course, this is the whole point of X-windows. I have run Quanta in > > essentially this manner. You may want to worry about speed of the net > > connections between the server and X-terminals (graphics updating can be > > slow depending on the network). > > I don't think this works unless you are running on a DGL machine thru X. > If you try this from a PC (no DGL) then you get lots of DGL errors. Perhaps > this is not the case with the Alpha version of Quanta. > Yes, I forgot to add that whatever X terminals you use have to support DGL. I haven't found a PC X server that supports it yet either. -- Walter Polkosnik walt@panix.com Physics Department http://www.physics.qc.edu/~walt Queens College, City University of New York (718)-997-3364 voice Credo quia absurdum est. (718)-997-3349 fax From soriano+@pitt.edu Sat Jan 25 16:18:49 1997 Received: from post-ofc04.srv.cis.pitt.edu for soriano+@pitt.edu by www.ccl.net (8.8.3/950822.1) id PAA26606; Sat, 25 Jan 1997 15:20:28 -0500 (EST) Received: from unixs2.cis.pitt.edu (soriano@unixs2.cis.pitt.edu [136.142.185.53]) by post-ofc04.srv.cis.pitt.edu with SMTP (8.8.4/cispo-2.0.1.7) ID ; Sat, 25 Jan 1997 15:14:08 -0500 (EST) Date: Sat, 25 Jan 1997 15:14:07 -0500 (EST) From: David Soriano X-Sender: soriano@unixs2.cis.pitt.edu To: Jan Labanowski cc: chemistry@www.ccl.net Subject: Re: CCL:Please, more teaching... In-Reply-To: <199701251727.MAA06725@krakow.ccl.net> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi Jan: I would ask all forum members that are involved in aspects of molecular modeling, emphasis on bio-active molecules, to please e-mail me information on software they are currently using. I will be compiling this information for inclusion in a, page linked to Dr. Heelis' new journal: "Internet Journal of Science : Bilogical Chemistry". Thank you , Dave Soriano Ph.D. Pitt's Bradford campus in Pa. U.S.A.