Copyright (C) 2004-2005 by David J. Hardy.
All rights reserved.


MDX Readme
version 1.0.0
-------------

MDX is a collection of C libraries to enable the development of methods
for molecular dynamics of biomolecules.  The target audience is anyone
(computer scientist or physicist) interested in using and extending these
libraries for the purpose of methods development and experimentation.

Two major methods currently being developed are multilevel summation
method (MSM) for the fast evaluation of electrostatic forces and MDAPI,
a high-performance interfacing of a front end with an MD engine, intended
for use in a future release of NAMD.

The codes have been successfully tested and should compile and run on
Linux, Solaris, and Darwin (Mac OS X).  Compiling the software requires
the GNU version of make.

Quick build and test instructions:

$ make config
$ make
$ make install             # default install into $HOME/bin, $HOME/lib, etc.
$ cd demo
$ mdsim alanin.config      # assuming $HOME/bin is in your path

  OR

$ make config INSTALL=no   # test libraries in place without installing
$ make
$ cd demo
$ ../build/Linux_generic/bin/mdsim alanin.config  # assuming Linux build

Please read NOTES for more details about the software and LICENSE for
information about the software licensing.