From axg42@pop.cwru.edu Mon Feb 5 10:27:07 1996 Received: from slc5.INS.CWRU.Edu for axg42@pop.cwru.edu by www.ccl.net (8.6.10/950822.1) id KAA14654; Mon, 5 Feb 1996 10:27:02 -0500 Received: from chem51299 (chem51299.CHEM.CWRU.Edu [129.22.200.99]) by slc5.INS.CWRU.Edu with SMTP (8.6.12+cwru/CWRU-2.1-freenet-gw) id KAA17279; Mon, 5 Feb 1996 10:26:59 -0500 (from axg42@pop.cwru.edu for ) Message-Id: <199602051526.KAA17279@slc5.INS.CWRU.Edu> From: Date: 5 Feb 1996 15:26:56 GMT To: chemistry@www.ccl.net Subject: structure minimization on UNIX5.3? Dear netters: We used to run PCModel on SGI station with UNIX 4.0 operating system. Recently the OS has been upgraded to 5.3, however the upgraded version of PCModel that would run with the new OS is not available. If you could suggest any alternative software that would allow us to do similar calculations on UNIX5.3, I would greatly appreciate it. We are looking for a simple (user friendly and fool proof) program that would allow us to run structure minimization and, most importantly, would be able to handle complexes (sigma and pi) of transition metals with organic ligands (e.g., cyclopentadienyl, arene, allyl, diene complexes of Cr, Mn, Mo, W, etc.). Hope, you can help us. Sincerely, Alex Gontcharov, axg42@po.cwru.edu From morokuma@euch4e.chem.emory.edu Sat Feb 3 14:05:27 1996 Received: from euch4e.chem.emory.edu for morokuma@euch4e.chem.emory.edu by www.ccl.net (8.6.10/950822.1) id OAA00926; Sat, 3 Feb 1996 14:05:25 -0500 From: Received: by euch4e.chem.emory.edu (AIX 3.2/UCB 5.64/4.03) id AA23604; Sat, 3 Feb 1996 14:05:19 -0500 Message-Id: <9602031905.AA23604@euch4e.chem.emory.edu> Subject: Emory U. UnderGrad Summer Res. Fellowship Program To: chemistry@www.ccl.net Date: Sat, 3 Feb 1996 14:05:19 -0500 (EST) EMORY UNIVERSITY UNDERGRADUATE SUMMER RESEARCH FELLOWSHIP PROGRAM In Computational Chemistry & Physics June 10, 1996-August 16, 1996 Cherry L. Emerson Center For Scientific Computation EMORY UNIVERSITY OBJECTIVE Provide intensive research training in computational chemistry/physics including electronic structures, molecular dynamics and modeling; gain experience using an IBM SP2 supercomputer and IBM RS6000 workstations; all of which, will enhance the student's career development in computational chemistry and physics. Fellows will pursue individual research projects under the direction of faculty members associated with the Center. Lectures, seminars by faculty, and student seminars will supplement the research program. QUALIFICATIONS Completion of junior undergraduate year with a major in chemistry or physics. Criteria used in determining fellowship will include college grades, relevant experience and interest, and letters of recommendation from faculty members. APPLICATION DEADLINE March 31, 1996 STIPEND $3500/10 week program. Up to $300 towards travel expenses is available upon request. HOUSING Double room occupancy is available for approx. $15/night and would be deducted from stipend. To Apply Please Contact: Professor Keiji Morokuma, Director Cherry L. Emerson Center for Scientific Computation Emory University 1515 Pierce Drive Atlanta, Georgia 30322 Phone: (404) 727-2380 Fax: (404) 727-6586 E-mail: CLEC@.euch3g.chem.emory.edu WWW: http://www.chem.emory.edu./summergrad.html Emory University is an equal opportunity/affirmative action employer