How to install MD++

What is MD++?

MD++ is simulation code developed by Dr. Wei Cai. The code is used to simulate systems of molecules using energy potentials that approximate the atomistic interaction in the system. To write a code for a specific element that does not feel any of the potentials that have been written, it is actually very complex. For a complete list of potentials and the type of atoms that they can be used for may be found in Appendix B of this packet. To download the latest version of MD++, please go to: MD++

To install in Ubuntu, make a directory(or folder) in the home directory and call it Codes. Open a terminal emulator. Switch to the Codes directory by typing:

cd Codes/

Now, to install MD++ type:

tar -zxvf md++-2007-02-27.tar.gz

Now, compile all potential files by typing:

make all build=R

To compile one pontetial type(for example the Finnis-Sinclair Pontetial for Molybedum):

make fs build=R

Now, run an example to check if MD++ is working properly by typing: