Molecular Dynamics Using CHARMm

The major advantage of CHARMm (the commercial version) over CHARMM (the non-commercial version) is its ability to be used through the QUANTA graphical interface. The graphical interface and automatic setup of CHARMm runs performed by QUANTA can be of great assistance to the novice. CHARMM serves the needs of advanced users who feel comfortable working in the Unix environment, writing command scripts, and operating the software in a non-interactive mode.