Re: interactive supercomputing

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Article #2725

#2725

From: Wilson S. Ross
Date: Thu, 21 Jan 1993 07:22

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Another big cycle crunching discipline is computational chemistry.
I am somewhat familiar with 2 fields: quantum & molecular mechanics.
Quantum: look for references to Gaussian & Gamess programs.
Mol mech: look for book on simulation of liquids by Allen & Tildesley;
basic approach is to view atoms as point charges & masses connected by
springs & do Newtonian stepwise dynamics.

Send mail to amber-request@cgl.ucsf.edu if interested in access to
mol mech code. 

Quantum Chemistry Program Exchange (QCPE) probably
has some major codes for distribution cost too.

                Quantum Chemistry Program Exchange (QCPE)
                Creative Arts Building 181
                Indiana University
                Bloomington, Indiana 47405

                Contact: Dr. Richard Counts
                Bitnet: COUNTSR@IUBACS

Bill Ross

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Newsgroups: sci.bio,sci.bio.technology,sci.chem,sci.comp-aided,sci.crypt,sci.electronics,sci.energy
Path: arc1-ca.pugleaf.net!sparky!uunet!cs.utexas.edu!sun-barr!ames!data.nas.nasa.gov!splatter.nas.nasa.gov!bross
From: bross@splatter.nas.nasa.gov (Wilson S. Ross)
Subject: Re: interactive supercomputing
Keywords: computational engineering,numerical analysis, supercomputing
References:  <1jd35eINNct0@gap.caltech.edu> <1993Jan20.114256@roper.mc.ti.com>
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Date: Thu, 21 Jan 93 07:22:54 GMT
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