From polowin@hyper.hyper.com Fri Feb 23 12:41:10 1996 Received: from www.hyper.com for polowin@hyper.hyper.com by www.ccl.net (8.7.1/950822.1) id LAA11892; Fri, 23 Feb 1996 11:38:02 -0500 (EST) Received: from hyper.hyper.com (hyper.hyper.com [204.50.97.9]) by www.hyper.com (8.6.12/8.6.12) with SMTP id LAA19836; Fri, 23 Feb 1996 11:50:43 -0500 Received: by hyper.hyper.com (920330.SGI/920502.SGI) for @www.hyper.com:chemistry@www.ccl.net id AA29565; Fri, 23 Feb 96 11:50:38 -0500 Date: Fri, 23 Feb 96 11:50:38 -0500 From: polowin@hyper.hyper.com (Joel Polowin) Message-Id: <9602231650.AA29565@hyper.hyper.com> To: SUBRAPS@texaco.com, chemistry@www.ccl.net Subject: Re: CCL:Dipole-Dipole Interaction in Dynamics > Date: 21 Feb 1996 07:18:07 GMT > From: SUBRAPS@texaco.com > > Is there a Molecular Dynamics Package which incorporates dipole-dipole > interaction in the electrostatic computation?. > I would appreciate any input in this regard. Any package that does molecular dynamics with an MM2-derived force field should include interactions of bond dipoles. (HyperChem does; please contact me for details.) I don't know of any that explicitly include effects of molecular dipoles, but I'm not sure if that's what you were asking about. Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@hyper.com Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 Info requests to: info@hyper.com Support questions to: support@hyper.com Email group: Send "subscribe hyperchem" to hyperchem-request@hyper.com WWW: http://www.hyper.com/ From owner-chemistry@ccl.net Fri Feb 23 15:00:12 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.1/950822.1) id NAA13116; Fri, 23 Feb 1996 13:51:01 -0500 (EST) Received: from relay5.UU.NET for gaussian.com!moses@lorentzian.com by bedrock.ccl.net (8.7.1/950822.1) id NAA03617; Fri, 23 Feb 1996 13:50:54 -0500 (EST) Received: from uucp4.UU.NET by relay5.UU.NET with SMTP id QQaeet06126; Fri, 23 Feb 1996 13:50:48 -0500 (EST) Message-Id: Received: from m10.UUCP by uucp4.UU.NET with UUCP/RMAIL ; Fri, 23 Feb 1996 13:50:50 -0500 Received: by m10.lorentzian.com; Fri, 23 Feb 1996 13:47:47 -0500 Received: by mousse.gaussian.com; Fri, 23 Feb 1996 12:12:29 -0500 From: gaussian.com!moses@lorentzian.com (David Moses) Subject: G94 for three new platforms To: chemistry@ccl.net Date: Fri, 23 Feb 1996 12:12:29 -0500 (EST) X-Mailer: ELM [version 2.4 PL24] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Dear Colleague: Gaussian, Inc is pleased to announce the availability of Gaussian 94 for Linux and FreeBSD operating systems and Hitachi S3600 and S3800 machines. o The Linux version has been tested under Yggdrasil Plug and Play Linux, Fall 94 Version, which uses kernel 1.3.20, f2c version 19940329, gcc version 2.5.8 (a.out) and libc version 4.5.26. o The FreeBSD version of Gaussian 94 has been tested and runs under FreeBSD version 2.1.0. o The Hitachi version has been tested under HI-OSF/1-MJ version 04-02/A, with Fort77/HAP V03-03 and C version 3.2.A. Please note that both the Linux and FreeBSD versions will be distributed under a site-wide source license, the same as the other workstation versions of Gaussian 94. Along with these new platform implementations, Gaussian 94 Revision D.1 now includes semi-direct CASSCF frequencies (N. Yamamoto, T. Vreven , M.A. Robb, M. J. Frisch, H. B. Schlegel, Chem. Phys. Lett. 1996, in press). With this announcement, we now distribute Gaussian 94 for the following computer platforms and operating systems: Gaussian 94 ----------- Convex C-Series (ConvexOS) and SPP (SPP-UX) Cray C90, YMP, XMP and J90 (UniCOS) DEC Alpha AXP (OSF1 and OpenVMS) Fujitsu VP, VPX, VPP500 and M Series (UXP/M) Hitachi S3600 and S3800 (HI-OSF/1-MJ) HP-700 (HP-UX) IBM RS/6000 (AIX) Intel 486 and Pentium Processors (FreeBSD and Linux) NEC SX-3 and SX-4 (SuperUX) Silicon Graphics R4000 and R8000 (IRIX) Sun (Solaris and SunOS) Gaussian 94W (executable-only) ------------------------------ Intel 486 and Pentium Processors (Windows 3.1 and Windows 95) We remind users that we maintain a mailing list for those interested in subscribing to our free newsletter, Gaussian NEWS. The newsletter discusses new implementations, updates, and future developments of the Gaussian system of programs. It also informs subscribers about upcoming user meetings and workshops, and contains features such as user profiles and technical notes. To subscribe to Gaussian NEWS, please e-mail your full postal address to info@gaussian.com. For additional information regarding the Gaussian system of programs, please to contact us at the address, telephone numbers (voice or facsimile), or electronic mail given below. *------------------------*------------------------*-----------------------* | David J. Moses, Ph.D. | Carnegie Office Park | info@gaussian.com | | Vice President, C.O.O. | Building Six | 412-279-6700 (Voice) | | Gaussian, Inc. | Pittsburgh, PA 15106 | 412-279-2118 (FAX) | *------------------------*------------------------*-----------------------* This notice is sent without warranty of any kind, expressed or implied. Gaussian is a registered trademark of Gaussian, Inc. All other trademarks are the property of their respective holders. Specifications and availability subject to change without notice.