From willett@admin.navo.hpc.mil Mon Apr 13 10:24:18 1998 Received: from mail for willett@admin.navo.hpc.mil by www.ccl.net (8.8.3/950822.1) id JAA14083; Mon, 13 Apr 1998 09:31:27 -0400 (EDT) Received: from tomcat (tomcat [128.160.10.4]) by mail (950413.SGI.8.6.12/8.6.10) with ESMTP id IAA06132; Mon, 13 Apr 1998 08:32:32 -0500 Received: from vger (vger [128.160.10.17]) by tomcat (950413.SGI.8.6.12/8.6.10) with ESMTP id IAA04827; Mon, 13 Apr 1998 08:30:59 -0500 Received: (willett@localhost) by vger (950413.SGI.8.6.12/8.6.10) id IAA18289; Mon, 13 Apr 1998 08:28:17 -0500 Date: Mon, 13 Apr 1998 08:28:11 -0500 (CDT) From: "Evan A. Willett" To: Mike Kotelyanskii cc: Chris Harwell , beuwulf list , Gamess user list , ccl Subject: Re: CCL:Summary: Linux versus win NT for running GAMESS In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Fri, 10 Apr 1998, Mike Kotelyanskii wrote: > Date: Fri, 10 Apr 1998 13:20:21 -0400 (EDT) > From: Mike Kotelyanskii > To: Chris Harwell > Cc: beuwulf list , > Gamess user list , > ccl > Subject: Re: CCL:Summary: Linux versus win NT for running GAMESS > > Well, > I happen to have the dual boot Win95/Linux system. > No compilers on Win95, sorry, and usual gnu stuff on Linux (for the Try gcc in GNU-Win32(http://www.cygnus.com/misc/gnu-win32/). It won't make the OS any better, but at least you will have most of your favorite utilities. > obvious reason), so if there is a possibility to get a executable I > could volunteer and run tests. > I do not use GAMESS myself, but I hope I'll be able to run some tests > if the some kind of README/HowTo/Manual is provided > > Mike > > ------------------------------------------------------------------------------- > Michael J. Kotelyanskii Phone (814) 863 43 81 > Polymer Science Program FAX (814) 865 29 17 > Department of Materials Science and > Engineering kotelyan@plmsc.psu.edu > Pennsylvania State University http://www.plmsc.psu.edu/~kotelyan > University Park, PA 16802, USA > -------------------------------------------------------------------------------- From robert@pauli.utmb.edu Mon Apr 13 13:24:27 1998 Received: from nmr.utmb.edu for robert@pauli.utmb.edu by www.ccl.net (8.8.3/950822.1) id NAA15436; Mon, 13 Apr 1998 13:23:47 -0400 (EDT) Received: from pauli.utmb.edu (pauli.utmb.edu [129.109.73.25]) by nmr.utmb.edu (950413.SGI.8.6.12/950213.SGI.AUTOCF) via ESMTP id MAA12347; Mon, 13 Apr 1998 12:27:50 -0500 Received: (from robert@localhost) by pauli.utmb.edu (950413.SUN.8.6.12/950213.SUN.AUTOCF) id MAA26865; Mon, 13 Apr 1998 12:24:23 -0500 From: "Robert Fraczkiewicz" Message-Id: <9804131224.ZM26863@pauli.utmb.edu> Date: Mon, 13 Apr 1998 12:24:23 -0500 In-Reply-To: "G. Rechtsteiner" "CCL:Fundamentals" (Apr 10, 11:35am) References: <662972203@nano.chem.nwu.edu> X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: "G. Rechtsteiner" , CHEMISTRY@www.ccl.net Subject: Re: CCL:Fundamentals Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Dear Greg, Standalone program ovc.f can do exactly what you need. It is a part of RAMVIB package (free) and can be found at the CCL ftp site: ftp://www.ccl.net/pub/chemistry/software/SGI/ramvib/ Hope this helps, Robert Fraczkiewicz University of Texas Medical Branch Galveston, TX 77555 On Apr 10, 11:35am, G. Rechtsteiner wrote: > Subject: CCL:Fundamentals > Hello: > > I was wondering if anyone knows of a software package > (freeware or other) that has an algorithm for working > out fundamentals, combinations, and overtones from > an input of a series of experimental peaks from an IR > or Raman spectrum. > > Thank you for your time and bandwidth, > > Greg From cyrillo@ifi.unicamp.br Mon Apr 13 14:24:21 1998 Received: from ifi.unicamp.br for cyrillo@ifi.unicamp.br by www.ccl.net (8.8.3/950822.1) id OAA15861; Mon, 13 Apr 1998 14:15:50 -0400 (EDT) Received: from dfa.ifi.unicamp.br (dfa-gw [143.106.6.23]) by ifi.unicamp.br (8.8.8/8.8.8) with ESMTP id PAA22964 for ; Mon, 13 Apr 1998 15:19:53 -0300 (BSC) Received: (from cyrillo@localhost) by dfa.ifi.unicamp.br (8.6.9/8.6.9) id PAA04125 for CHEMISTRY@www.ccl.net; Mon, 13 Apr 1998 15:18:41 -0300 From: Marcio Cyrillo - pos Message-Id: <199804131818.PAA04125@dfa.ifi.unicamp.br> Subject: New version of LogViewer for HyperChem To: CHEMISTRY@www.ccl.net (Lista de Quimica) Date: Mon, 13 Apr 1998 15:18:40 -0300 (BSC) X-Mailer: ELM [version 2.4 PL24] Content-Type: text Dear CCLers, I just have made available a new version of LogViewer (HyperChem) for users who have HyperSpin installed in their computers. Refer to http://www.ifi.unicamp.br/~cyrillo/hyperspin/hspin.html to do the download. Thanks, regards, Marcio.