M01 Introduction to MD++: Difference between revisions
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and still being updated to include more features. MD++ is supposed to |
and still being updated to include more features. MD++ is supposed to |
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run in a Unix/Linux environment. However, if you have |
run in a Unix/Linux environment. However, if you have |
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cygwin,<ref> |
cygwin,<ref>For download and installation, visit |
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http://www.cygwin.com/. You must download and install the full |
http://www.cygwin.com/. You must download and install the full |
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package of cygwin. See http://micro.stanford.edu/~caiwei/Forum/2004-12-12-MD++/cygwin.html |
package of cygwin. See http://micro.stanford.edu/~caiwei/Forum/2004-12-12-MD++/cygwin.html |
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series of manuals written for those new to MD simulations. These |
series of manuals written for those new to MD simulations. These |
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manuals explain how to use MD++ with simple examples. |
manuals explain how to use MD++ with simple examples. |
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<BR><HR> |
<BR><HR> |
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Revision as of 00:48, 25 November 2007
Manual 01 for MD++
Introduction to MD++
Keonwook Kang and Wei Cai
[[ Nov 24 ] [2007]]
Overview
MD++ is a molecular dynamics simulation package written in C++. It is originally developed by Wei Cai when he was a graduate student at MIT and still being updated to include more features. MD++ is supposed to run in a Unix/Linux environment. However, if you have cygwin,[1] a linux-like environment installed in your Windows machine, you can also enjoy MD++ there. Currently, this code is designed mainly for studying the atomic behavior in solid crystal materials. It can also be extended to study other systems, such as fluids, polymers and bio-molecules. This document is the first of a series of manuals written for those new to MD simulations. These manuals explain how to use MD++ with simple examples.
Installation
MD++ Directories
Script File
Visualization Window Control
Bibliography
About this document ...
Notes
- ↑ For download and installation, visit http://www.cygwin.com/. You must download and install the full package of cygwin. See http://micro.stanford.edu/~caiwei/Forum/2004-12-12-MD++/cygwin.html for installation instructions.