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== DESCRIPTION ==
== DESCRIPTION ==
Molden is a package for displaying molecular density from the Ab Initio packages Gamess and Gaussian and the Semi-Empirical packages Mopac/Ampac. Scripts have also been written to convert the output from other Ab Initio programs to Molden format (see link below). In addition, the Xwindows version of Molden can import and display chemx, PDB, and a variety of mopac/ampac files and other formats.
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Molden has a flexible Z-matriz editor which allows full control over the geometry, and structures can be written in several different formats. The program can animate reaction paths and molecular vibrations, and can display molecular orbitals, electron density as contour plots, and 3-D grid plots. There is also an OpenGL version available which generates more user friendly plots via an external helper program.
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Molden can write a variety of graphics instructions; postscript, XWindows, VRML, povray, OpenGL, tekronix4014, hpgl, hp2392 and Figure.
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DL POLY 2 is a package of subroutines, programs and data files, designed to facilitate molecular dynamics simulations of macromolecules, polymers, ionic systems, solutions and other molecular systems on a distributed memory parallel computer. The package was written to support the UK project CCP5 by Bill Smith and Tim Forester under grants from the Engineering and Physical Sciences Research Council and is the property of the Council for the Central Laboratory of the Research Councils. DL POLY 2 is the earlier version and is based on a replicated data parallelism. It is suitable for simulations of up to 30,000 atoms on up to 100 processors. cacas </p>
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== MACHINES ==


== LINKS ==
== LINKS ==


'''Official homepage'''
[http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/index.shtml DL POLY Website]
 
http://www.cmbi.ru.nl/molden/molden.html
 
'''Wikipedia'''
 
http://en.wikipedia.org/wiki/Molden
 
'''Molden with OpenGL for viewing orbitals'''
 
http://www.cmbi.ru.nl/molden/opengl.html
 
'''Scripts for converting output from other programs to Molden format'''


http://www.cmbi.ru.nl/molden/others.html
[http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/dl_poly.bench.htm DL POLY 2 Benchmark]


== SCRIPTS MACHINE ==
== SCRIPTS ==


== USEFUL TIPS ==


== TIPS ==
[http://www.sun.com/download Sun Microsystems Java] is required.

Latest revision as of 09:36, 25 October 2007

DESCRIPTION[edit]

DL POLY 2 is a package of subroutines, programs and data files, designed to facilitate molecular dynamics simulations of macromolecules, polymers, ionic systems, solutions and other molecular systems on a distributed memory parallel computer. The package was written to support the UK project CCP5 by Bill Smith and Tim Forester under grants from the Engineering and Physical Sciences Research Council and is the property of the Council for the Central Laboratory of the Research Councils. DL POLY 2 is the earlier version and is based on a replicated data parallelism. It is suitable for simulations of up to 30,000 atoms on up to 100 processors. cacas

MACHINES[edit]

LINKS[edit]

DL POLY Website

DL POLY 2 Benchmark

SCRIPTS[edit]

USEFUL TIPS[edit]

Sun Microsystems Java is required.

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