From chemistry-request@www.ccl.net Fri Nov 10 09:52 EST 1995
Received: from postbox.acs.ohio-state.edu for chemistry-request@www.ccl.net
by bedrock.ccl.net (8.7.1/950822.1) id JAA28264; Fri, 10 Nov 1995 09:52:16 -0500 (EST)
Received: from www.ccl.net by postbox.acs.ohio-state.edu (8.6.9/5.901231)
id JAA18759; Fri, 10 Nov 1995 09:52:21 -0500
Received: for chemistry-request@www.ccl.net
by www.ccl.net (8.6.10/950822.1) id EAA14366; Fri, 10 Nov 1995 04:33:43 -0500
Received: from bedrock.ccl.net for owner-chemistry@ccl.net
by www.ccl.net (8.6.10/950822.1) id EAA14206; Fri, 10 Nov 1995 04:23:01 -0500
Received: from earth.ox.ac.uk for Keith.Refson@earth.ox.ac.uk
by bedrock.ccl.net (8.7.1/950822.1) id EAA27085; Fri, 10 Nov 1995 04:22:57 -0500 (EST)
Received: from rahman.earth.ox.ac.uk by earth.ox.ac.uk; Fri, 10 Nov 1995 09:21:17 GMT
Date: Fri, 10 Nov 95 09:21:16 GMT
Message-Id: <21371.9511100921@rahman.earth.ox.ac.uk>
From: Keith Refson
Subject: CCL:Software of Molecular Dynamics Simulation
To: chemistry@ccl.net
Organisation: Earth Sciences Department, Oxford University.
Sender: Computational Chemistry List
Errors-To: ccl@www.ccl.net
Precedence: bulk
Content-Type: text
Content-Length: 1624
Status: R
Francisco Figueirido wrote:
> I once saw a program called MOLDY that was designed just for what you
> want. The author is Keith Refson (keith@earth.ox.ac.uk). I never used it
> because we do simulations in liquids, not solids, but it looks rather good.
If anyone is interested in using Moldy it is freely available (under
the GNU Public License) from our Web server
http://www.earth.ox.ac.uk/~keith/moldy
or by anonymous ftp
ftp://ftp.earth.ox.ac.uk/pub/moldy-2.9.tar.Z
Incidentally it will simulate both solids and liquids; the main
restrictions are that it handles atoms, ions and rigid molecules, and
it is currently limited to pairwise central forces.
I keep a list of email addresses for mailing about any new versions or
bug reports. If you want to be included in this, please send me an
email and ask.
sincerely
Keith Refson
------------------------------------------------------------------------------
| Email : keith@earth.ox.ac.uk | Dr Keith Refson, Dept of Earth Sciences|
| TEL(FAX): +44 1865 272026 (272072)| Parks Road, Oxford OX1 3PR, UK |
------------------------------------------------------------------------------
|
