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:
bin/md_gpp scripts/Examples/Example01-m0.script