(Modeling proteins)

Installing MOPAC

MOPAC is a stand-alone program that can be downloaded from the internet, from web-page: http://openmopac.net/Download_MOPAC_Executable_Step2.html

Versions exist for all Microsoft Windows, Mac and Linux operating systems.  They can be downloaded as a graphical installer that will prompt you through the installation of MOPAC, or as an archive (.zip on Mac/Windows, .tar.gz on Linux) that can be expanded into a directory containing all essential MOPAC files.

Once MOPAC is installed, run a few simple calculations.  This is important!  Only be running jobs can you get a feel for the program.

Of their nature, proteins are very large molecules, that's why they're called "giant molecules", and all calculations involving proteins require a large amount of memory.  A minimum of 2Gb would be needed for systems of 5,000 atoms, but more memory, e.g., 4Gb, would be better.  If several giant molecules are to be run simultaneously, then 16Gb to 64Gb is recommended.