From chemistry-request@www.ccl.net Mon Aug 17 08:03:25 1998 Received: from quim.iq.usp.br (quim.iq.usp.br [143.107.46.101]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id IAA14282 Mon, 17 Aug 1998 08:03:22 -0400 (EDT) Received: (sjardino@localhost) by quim.iq.usp.br (8.6.10/SPARC10-IQ2.0) id IAA02121; Mon, 17 Aug 1998 08:53:54 -0300 Date: Mon, 17 Aug 1998 08:53:54 -0300 (EST) From: Sergio Augusto Jardino Filho To: chemistry@www.ccl.net Subject: Stability calculation Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL, I have a basic question: How can I compare the stability of two molecules with different number of atoms using the energy result of a CBS calculation or another kind of single point calculation? Thanks is advance Sergio A. Jardino Filho Univesidade de Sao Paulo Brazil From chemistry-request@www.ccl.net Thu Aug 13 04:01:12 1998 Received: from rztsun.rz.tu-harburg.de (rztsun.rz.tu-harburg.de [134.28.200.14]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id EAA15179 Thu, 13 Aug 1998 04:01:11 -0400 (EDT) Received: from pluto.vt4.tu-harburg.de (vt4xg@pluto.vt4.tu-harburg.de [134.28.43.135]) by rztsun.rz.tu-harburg.de (8.9.0/8.8.8) with ESMTP id KAA16046 for ; Thu, 13 Aug 1998 10:00:35 +0200 (MET DST) Message-ID: X-Mailer: XFMail 1.2 [p0] on Linux X-Priority: 3 (Normal) Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 8bit MIME-Version: 1.0 Date: Thu, 13 Aug 1998 10:00:35 +0200 (MEST) Organization: TU Hamburg-Harburg Sender: vt4xg@pluto.vt4.tu-harburg.de From: Xiangyun Guo To: chemistry@www.ccl.net Subject: Diffusion within irregular pores Dear all I am investigating the diffusion in pores with fractal walls by the Monte Carlo method. Could anyone give me some references on the effect of fractal pores on diffusivity ? Thank you in advance. Xiangyun GUO Email: xiangyun@tu-harburg.de ---------------------------------- E-Mail: Xiangyun Guo Date: 13-Aug-98 Time: 09:53:46 This message was sent by XFMail ---------------------------------- From chemistry-request@www.ccl.net Thu Aug 13 05:14:05 1998 Received: from hermes.fju.edu.tw (hermes.fju.edu.tw [140.136.196.150]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id FAA15772 Thu, 13 Aug 1998 05:14:02 -0400 (EDT) Received: by hermes.fju.edu.tw (AIX 3.2/UCB 5.64/4.03) id AA15982; Thu, 13 Aug 1998 16:37:08 +0800 Date: Thu, 13 Aug 1998 16:37:08 +0800 From: shin@hermes.fju.edu.tw (Shin-Inn Chen) Message-Id: <9808130837.AA15982@hermes.fju.edu.tw> To: chemistry@www.ccl.net Subject: water dimer anion dear friends: i would to ask about references of water dimer anion (H2O)2- in both theoretical and experimemtal sides. any suggestion will be greatly appreciated! e-mail: shin@hermes.fju.edu.tw shin 1998/8/13 From chemistry-request@www.ccl.net Thu Aug 13 13:39:19 1998 Received: from NPD1.NPD.UFPE.BR (npd1.npd.ufpe.br [150.161.6.1]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id NAA25516 Thu, 13 Aug 1998 13:39:01 -0400 (EDT) Received: from npd.ufpe.br (Hartree.DQF.UFPE.BR) by NPD.UFPE.BR (PMDF V5.1-4 #20469) with ESMTP id <01J0K483LXJK000GDT@NPD.UFPE.BR> for CHEMISTRY@www.ccl.net; Thu, 13 Aug 1998 14:41:40 GMT-3 Date: Thu, 13 Aug 1998 14:32:09 -0300 From: Gerd Bruno Rocha Subject: Rational function molecular integrals To: CHEMISTRY@www.ccl.net Message-id: <35D32319.CED01DC3@npd.ufpe.br> MIME-version: 1.0 X-Mailer: Mozilla 4.05 [en] (Win95; I) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit Dear Netters, I am looking for molecular integrals of rational exponential type orbitals of the form: f(r) = P(r)*exp(-alpha*r)/(1 + alpha*r) where P(r) is a Laguerre polynomial of r. If any of you know of any reference about that, at least for the formula of overlap integrals for these functions, please let me know. I'll summarize replies. Thank you all Gerd Bruno Rocha DSc Student in Computational Chemistry E-Mail : gbr@npd.ufpe.br : gerd@simas.dqf.ufpe.br Universidade Federal de Pernambuco Centro de Ciencias Exatas e da Natureza Departamento de Quimica Fundamental Recife - PE - Brazil http://www.dqf.ufpe.br From chemistry-request@www.ccl.net Thu Aug 13 14:50:09 1998 Received: from mail.isg.siue.edu (mail.isg.siue.edu [146.163.5.4]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id OAA03199 Thu, 13 Aug 1998 14:50:08 -0400 (EDT) Received: from ns.edwpub.com.edwpub.com (ppp44.edwpub.com [206.152.126.144]) by mail.isg.siue.edu (8.8.8/8.8.6) with SMTP id NAA07835 for ; Thu, 13 Aug 1998 13:50:08 -0500 (CDT) Message-ID: <001301bdc6eb$e22f3240$907e98ce@ns.edwpub.com.edwpub.com> From: "David Baker" To: Subject: Higher Order Saddle Points Date: Thu, 13 Aug 1998 13:55:02 -0500 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 4.72.3110.5 X-MimeOLE: Produced By Microsoft MimeOLE V4.72.3110.3 I am currently studying the transition state structures that arise during the inversion of 6-membered ring systems. These systems exhibit various degrees of the anomeric effect. Although the majority of the higher energy saddle points (half-chairs) are first order, a few contain a second (25-75 cm^-1) imaginary vibrational frequency. I realize that flexible rotors, methyl groups, and floppy rings sometimes demonstrate this behavior. (Hehre, W.H. Practical Strategies for Electronic Structure Calculations; Wavefunction: Irvine, 1995, 96) However, I've noticed that the rms gradient for structures having 2 imaginary frequencies is slightly higher than for those containing 1. Many times it is necessary to loosen the convergence criteria in order to get an optimization to a saddle point to finish. The GAMESS User's Guide states that an OPTTOL value of 0.0005 is the largest that a person would want to use. (GAMESS User's Guide, 4 May 98 edition, p 4-38) This means that the maximum component of the gradient has to be less than 0.0005 and the rms gradient has to be less than (1/3)OPTTOL or 0.000167. My higher order saddle points would require an OPTTOL value in the range (0.0006, 0.0007). This would correspond to a rms gradient of (0.0002, 0.00023). While I've read many good journal articles that report finding transition states for other ring systems, they rarely list the convergence criterion used in the calculation. The reason for this is obvious. The purpose of performing these calculations is not to produce and report gradients but to obtain and report useful properties of structures. My questions are listed below: 1.) In general, are rms gradients for higher order saddle points of ring structures larger than those with only 1 imaginary frequency? 2.) What is considered to be a maximum acceptable rms gradient for transition states of larger systems? (>20 atoms) My next question has to do with higher order saddle points, such as monkey saddle points and so on. 3.) I've read papers by Hehre, Pople, Pulay, Murrell, and Laidler that discuss the properties of saddle points. However, I would like to know what others think about higher order saddle points. In other words, do higher order saddle points actually exist for real potential energy surfaces, or are they artifacts introduced by the limitations of various level of theory? I'll produce a summary of responses after an accepted time period. Sincerely, David Baker dbaker@siue.edu From chemistry-request@www.ccl.net Thu Aug 13 17:08:41 1998 Received: from ari.ari.net (ari.net [198.69.192.1]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id RAA17784 Thu, 13 Aug 1998 17:08:40 -0400 (EDT) Received: from ari.net (jparikh.ari.net [198.69.194.118]) by ari.ari.net (8.8.6/8.8.6) with ESMTP id RAA26680 for ; Thu, 13 Aug 1998 17:07:34 -0400 (EDT) Message-ID: <35D3562C.DE4AA2E9@ari.net> Date: Thu, 13 Aug 1998 17:10:04 -0400 From: Haseet Parikh X-Mailer: Mozilla 4.05 [en] (Win95; I) MIME-Version: 1.0 To: "CHEMISTRY@www.ccl.net" Subject: New site @ www.ahsystem.com Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCL Members, AHSystems Group's web site is now at www.ahsystem.com. Please bookmark it. Thank you. John Parikh AHSystems Group 5401 Lakeford Ln. Suite L-1 Bowie, MD 20720 301.352.0896 Ph 301.352.0199 Fx www.ahsystem.com From chemistry-request@www.ccl.net Thu Aug 13 19:36:19 1998 Received: from empire.anu.edu.au (empire.anu.edu.au [150.203.193.232]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id TAA18412 Thu, 13 Aug 1998 19:36:17 -0400 (EDT) Received: by empire.anu.edu.au via sendmail with stdio id (Debian Smail3.2.0.101) for CHEMISTRY@www.ccl.net; Fri, 14 Aug 1998 09:35:28 +1000 (EST) Message-ID: <19980814093527.D27282@empire.anu.edu.au> Date: Fri, 14 Aug 1998 09:35:27 +1000 From: Drake Diedrich To: "CHEMISTRY@www.ccl.net" Subject: Re: CCL:rasmol problem Mail-Followup-To: Fenglou Mao , "CHEMISTRY@www.ccl.net" References: Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii X-Mailer: Mutt 0.93i In-Reply-To: ; from Fenglou Mao on Thu, Aug 13, 1998 at 09:32:16AM -0700 On Thu, Aug 13, 1998 at 09:32:16AM -0700, Fenglou Mao wrote: > > Dear all, > When I run rasmol in my linux box, it always tells me: > "No suitable DISPLAY!" > Had someone meet this problem? And how to solve it? Rasmol defaults to an 8 bit display. The XFree86 server that ships with Linux can only handle one bit depth at a time. You probably have true color (24 or 32 bit) or hi-color (15 or 16 bits). There are flags, probably in the Makefile to compile Rasmol for other bit depths. -- Dr. Drake Diedrich, Research Officer - Computing, (02)6279-8302 John Curtin School of Medical Research, Australian National University 0200 Replies to other than Drake.Diedrich@anu.edu.au will be routed off-planet From chemistry-request@www.ccl.net Thu Aug 13 22:01:24 1998 Received: from copland.udel.edu (copland.udel.edu [128.175.13.92]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id WAA19006 Thu, 13 Aug 1998 22:01:24 -0400 (EDT) Received: from localhost (stlin@localhost) by copland.udel.edu (8.8.8/8.8.8) with SMTP id WAA18405 for ; Thu, 13 Aug 1998 22:01:25 -0400 (EDT) Date: Thu, 13 Aug 1998 22:01:25 -0400 (EDT) From: Shiang-Tai Lin Reply-To: Shiang-Tai Lin To: Computational Chemistry List Subject: Solvation calculation in Gaussian 94 Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL users, I was trying to use G94 to do some solvation calculations and had difficulty in understanding the meanings of some of the output lines. I appreciate any of your help. In the input file, I wrote #T rhf/6-31g(d) scrf=ipcm volume test The output due to the keyword "volume" are Box volume = 2398.137 fraction occupied=1.000 Molar volume = 2398.137 bohr**3/mol (214.007 cm**3/mol) Recommended a0 for SCRF calculation = 5.34 angstrom ( 10.08 bohr) Question (1): What's the shape of the box? Question (2): How to calculate a0 from the molar volume? It seems to me that the formula (molar volume/Pi)^(1/3)+0.94 bohr is used. But why? The some of the output due to scrf=ipcm are Max. Dist. Between Center of Nuclear Charge and Isosurface = 5.222190E+00 Min. Dist. Between Center of Nuclear Charge and Isosurface = 3.402845E+00 Total "Solvent Accessible Surface Area" of Solute = 2.467157E+02 Volume of Solute Cavity = 3.391144E+02 Question (3): What are the units of these values? Question (4): Where can I find references that explains how to calculate these values? Thank you. Shiang-Tai Department of Chemical Engineering University of Delaware (O) (302) 831-6857 (H) (302) 368-8388 E-mail: stlin@udel.edu From chemistry-request@www.ccl.net Fri Aug 14 06:23:58 1998 Received: from chimfiz.icf.ro ([193.231.132.2]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id GAA20539 Fri, 14 Aug 1998 06:23:53 -0400 (EDT) Received: from localhost (vchihaia@localhost) by chimfiz.icf.ro (8.8.7/8.8.7) with SMTP id MAA01686; Fri, 14 Aug 1998 12:07:11 +0300 Date: Fri, 14 Aug 1998 12:07:11 +0300 (EEST) From: Viorel Chihaia To: chemistry@www.ccl.net Subject: Point Charges in GAMESS (fwd) Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII ---------- Forwarded message ---------- Date: Fri, 14 Aug 1998 12:00:05 +0300 (EEST) From: Viorel Chihaia To: MARYJO@nev.edu Subject: Point Charges in GAMESS Hello MARYJO, I have consulted only now the "ccl" letters and I have seen your letter. I made point charges in GAMESS. It is easy: you create a fictive atom (or more) without basis and with ECP with zero any ECP parametres ( coefficients and potentials) and with a charge for core which you want. Try this solution and if you have problems I will send you a concret example. With best regards, Viorel Chihaia Institute of Physical Chemistry Surface Science and Catalysis Lab. Bucharest, Romania e-mail: vchihaia@chimfiz.icf.ro From chemistry-request@www.ccl.net Fri Aug 14 10:24:59 1998 Received: from ccl.net (atlantis.ccl.net [192.148.249.4]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id KAA22013 Fri, 14 Aug 1998 10:24:58 -0400 (EDT) Received: from razor.biokemi.su.se (arne@razor.biokemi.su.se [130.237.179.48]) by ccl.net (8.8.6/8.8.6/OSC 1.1) with ESMTP id KAA06230 for ; Fri, 14 Aug 1998 10:24:58 -0400 (EDT) Received: (from arne@localhost) by razor.biokemi.su.se (8.8.7/8.8.7) id QAA26682; Fri, 14 Aug 1998 16:25:45 +0200 To: CHEMISTRY@ccl.net Subject: Voodoo2, Linux and proteingraphics Mime-Version: 1.0 (generated by tm-edit 7.105) Content-Type: multipart/mixed; boundary="Multipart_Fri_Aug_14_16:25:45_1998-1" Content-Transfer-Encoding: 7bit From: Arne Elofsson Date: 14 Aug 1998 16:25:45 +0200 Message-ID: Lines: 30 X-Mailer: Gnus v5.4.37/XEmacs 19.15 --Multipart_Fri_Aug_14_16:25:45_1998-1 Content-Type: text/plain; charset=US-ASCII Hi We are buying some new PCs for a computer lav for the students. We are thinking about buying some voodoo2 graphic cards to try to run some real graphics program using mesa and xfree86. Has anyone any experience with this ? What programs have people tried (O, whatif, xtalview) thanks for any information yours arne --Multipart_Fri_Aug_14_16:25:45_1998-1 Content-Type: text/plain; charset=US-ASCII --------------------------------------------------------------------------- The more I use Windows, the more I love Linux --------------------------------------------------------------------------- Arne Elofsson arne@biokemi.su.se http://www.biokemi.su.se/~arne/ Tel:+46(0)8-161553 Dept of Biochemistry, Stockholm University Fax:+46(0)8-153679 10691 Stockholm, Sweden --Multipart_Fri_Aug_14_16:25:45_1998-1-- From chemistry-request@www.ccl.net Fri Aug 14 13:04:35 1998 Received: from hermes.fju.edu.tw (hermes.ch.fju.edu.tw [140.136.196.150]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id NAA02852 Fri, 14 Aug 1998 13:04:30 -0400 (EDT) Received: by hermes.fju.edu.tw (AIX 3.2/UCB 5.64/4.03) id AA15458; Sat, 15 Aug 1998 01:01:11 +0800 Date: Sat, 15 Aug 1998 01:01:11 +0800 From: shin@hermes.fju.edu.tw (Shin-Inn Chen) Message-Id: <9808141701.AA15458@hermes.fju.edu.tw> To: chemistry@www.ccl.net Subject: basis set Status: RO Content-Length: 547 dear netters: i have two questions about basis sets: 1) does any one know Sadlej`s medium-sized polarized basis sets reported in Theor. Chim. Acta 1991, 79, p123 ? and would you please send me a copy in Gaussian format for element O and H? since i have some problems for finding the reference. 2) which basis set is excellent for reproducing dipole moment and polarizability of molecules, especially water? thanks a lot for your help! e-mail: shin@hermes.fju.edu.tw shin 1998/8/15 From chemistry-request@www.ccl.net Fri Aug 14 12:07:06 1998 Received: from chem.chem.rochester.edu (root@chem.chem.rochester.edu [128.151.176.10]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id MAA26248 Fri, 14 Aug 1998 12:07:02 -0400 (EDT) Received: from markov.chem.rochester.edu (markov.chem.rochester.edu [128.151.176.16]) by chem.chem.rochester.edu (8.8.5/8.8.5) with SMTP id MAA22882; Fri, 14 Aug 1998 12:02:35 -0400 (EDT) Received: by markov.chem.rochester.edu (920330.SGI/920502.SGI.AUTO) for @chem.chem.rochester.edu:CHEMISTRY@www.ccl.net id AA22146; Fri, 14 Aug 98 12:06:54 -0400 Date: Fri, 14 Aug 1998 12:06:50 -0400 (EDT) From: Sergei Tretiak To: "'CCL'" Subject: Re: CCL:Xwindows terminal emulator In-Reply-To: <01BDC611.75C880A0@zinc.unomaha.edu> Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Douglas, You may try PC-Xware from NCD for Win3.1,95(98),NT (https://www.ncd.com/ppcx/ppcx.html). NCD suggested price is $395, but probably you can get it cheaper from other soft. retailers. Probably, this is the best product on the market. At least it works perfectly well on ours PC. Xwindows terminal emulator is very good, e.g. running remote Spartan 5.0 from SGI IRIX is very fast. Sincerely, Sergei .-----------------------------------------------------------------------. |\ / \ | Sergei Tretiak | / \ /| |.\/...\|.......................................................|/...\/.| | Department of Chemistry | Voice: (716) 275-8289 | | University of Rochester | Fax: (716) 473-6889 | | P. O. Box 270216 | E-mail: serg@markov.chem.rochester.edu | | Rochester, NY 14627-0216 | serg@wigner.chem.rochester.edu | | Homepage: http://markov.chem.rochester.edu/serg/welcome.html | |_______________________________________________________________________| On Wed, 12 Aug 1998, Douglas E. Stack wrote: > > Our department will be adding some new Win98 PC. I'd like to install a Xwindows terminal emulator on each. My only experience with such products has been with Exdous by White Pine. Does anyone have a preference for a good, inexpensive Xwindows emulator for running modeling programs from SGI workstations? > > Thanks in advance for any suggestions. > > Douglas E. Stack > Assistant Professor > Department of Chemistry > University of Nebraska at Omaha > Omaha, NE 68182-0109 > (402) 554-3647 > (402) 544-3888 (fax) > destack@unomaha.edu > > > > --- > Administrivia: This message is automatically appended by the mail exploder: > 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 > --- > From chemistry-request@www.ccl.net Fri Aug 14 12:22:11 1998 Received: from sumh1.rdg.ac.uk (pp@sumh1.rdg.ac.uk [134.225.16.4]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id MAA28164 Fri, 14 Aug 1998 12:22:10 -0400 (EDT) Received: from indyp (actually host scsgind2) by sumh1.rdg.ac.uk; Fri, 14 Aug 1998 17:20:20 +0100 Received: from reading.ac.uk by indyp via ESMTP (940816.SGI.8.6.9/930416.SGI) for id RAA12689; Fri, 14 Aug 1998 17:20:06 +0100 Sender: dave@reading.ac.uk Message-ID: <35D463B5.337407EA@reading.ac.uk> Date: Fri, 14 Aug 1998 17:20:05 +0100 From: Dave Price Organization: none-what-so-ever X-Mailer: Mozilla 4.05 [en] (X11; I; IRIX 5.3 IP22) MIME-Version: 1.0 To: Comp Chem Mailing List Subject: Wien97 ??? Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Colleagues, I am interested in using Wien97 to do some MD - DFT simulations with Uranium and Plutonium compounds. Unfortunately, I cannot get through to the web site for information or contact names. Can any one tell me which elements are supported (specifically if U and Pu are supported) and if it is feasible to do MD DFT with this FP-LAPW code on clusters or cells with around 4 U atoms/ions and 8 oxide ions? Thanks in advance for any help. Cheers, Dave -- ------------------------------------------------------------------------ Dr. David W. Price, Tel: +44 (0)118 9875123 extn 7415 Department of Chemistry, Fax: +44 (0)118 9316331 University of Reading, mailto:d.w.price@reading.ac.uk Whiteknights, READING http://www.chem.rdg.ac.uk/g50/mmrg/dave/dave.html RG6 6AD U.K. ------------------------------------------------------------------------ From chemistry-request@www.ccl.net Fri Aug 14 12:58:43 1998 Received: from pnl.gov (galaxy.pnl.gov [130.20.20.36]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id MAA02187 Fri, 14 Aug 1998 12:58:42 -0400 (EDT) Received: from odyssey.emsl.pnl.gov by pnl.gov (PMDF V5.1-10 #21283) with ESMTP id <01J0L8MF0RYO8XJWVC@pnl.gov> for CHEMISTRY@www.ccl.net; Fri, 14 Aug 1998 09:58:18 PDT Received: from cagle.emsl.pnl.gov (cagle.emsl.pnl.gov [198.128.80.73]) by odyssey.emsl.pnl.gov (8.8.5/8.8.5) with ESMTP id JAA03309; Fri, 14 Aug 1998 09:58:16 -0700 (PDT) Received: (from d3e129@localhost) by cagle.emsl.pnl.gov (8.8.5/8.8.5) id JAA09368; Fri, 14 Aug 1998 09:58:17 -0700 (PDT) Date: Fri, 14 Aug 1998 09:58:17 -0700 (PDT) From: "Ricky A. Kendall" Subject: Re: CCL:Xwindows terminal emulator In-reply-to: <01BDC611.75C880A0@zinc.unomaha.edu> (destack@unomaha.edu) To: CHEMISTRY@www.ccl.net Reply-to: ra_kendall@pnl.gov Message-id: <199808141658.JAA09368@cagle.emsl.pnl.gov> > Date: Wed, 12 Aug 1998 16:51:31 -0500 > From: "Douglas E. Stack" > Sender: chemistry-request@www.ccl.net > Errors-to: ccl@ccl.net > MIME-version: 1.0 > Content-transfer-encoding: 8bit > Precedence: bulk > X-MIME-Autoconverted: from quoted-printable to 8bit by www.ccl.net id RAA13047 > X-Authentication-warning: www.ccl.net: ccl set sender to > chemistry-request@www.ccl.net using -f > Content-Type: text/plain; charset="us-ascii" > chemistry-request@www.ccl.net using -f > Content-Length: 892 > > > Our department will be adding some new Win98 PC. I'd like to install > a Xwindows terminal emulator on each. My only experience with such > products has been with Exdous by White Pine. Does anyone have a > preference for a good, inexpensive Xwindows emulator for running > modeling programs from SGI workstations? > > > Thanks in advance for any suggestions. > > Douglas E. Stack > Assistant Professor > Department of Chemistry > University of Nebraska at Omaha > Omaha, NE 68182-0109 > (402) 554-3647 > (402) 544-3888 (fax) > destack@unomaha.edu > > > > --- > Administrivia: This message is automatically appended by the mail exploder: > 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 > --- > > I have used two different x-windows programs under Win3.1/95/98; they are X-Remote from NCD and EXCEED from Hummingbird. Both are in the $500 range so I don't know if you would call that expensive or not. The latter also sells a companion product that allows OpenGL to work as well. The street price if you look around for the EXCEED products you can get them for $300/$150 roughly. I got both EXCEED products (X/GL) for less $500 a few months back. The Hummingbird product works well on the net and over a modem. The X-Remote software needs a "server" function either on a terminal server or on a remote workstation. It is harder to configure etc but it is solid as well (once you get it working). I would recommend the EXCEED product if you can afford the cost. You could also dual-boot Linux and then have a decent X system; if you need OpenGL support then you would have to buy that I think? There might be a free OpenGL system but I don't know of one. Things change so fast with Linux it is difficult to keep up. Hope this helps :) Regards, Ricky -- ============================================================================= === Ricky A. Kendall === === P.O. Box 999, Mail Stop K1-83 === === 906 Battelle Blvd. === === High Performance Computational Chemistry Group === === Theory, Modeling, and Simulation Program === === Environmental Molecular Sciences Laboratory === === Pacific Northwest National Laboratory === === Richland, WA 99352-0999 === === Phone: (509) 375-2602 Fax : (509) 375-6631 === === Pager: (509) 543-1061 Cell: (509) 366-0437 === ===-----------------------------------------------------------------------=== === Personal email: rickyk@3-cities.com === =============================================================================