Software Summary
Last Updated On: 

Wednesday, November 29, 2017

Support Level: 
Secondary Support
Software Access Level: 
RESTRICTED - Contact Helpdesk
Software Categories: 
Drug Discovery
Structural Biology
Electronic Structure
Molecular Modeling and Simulation
Software Description
Software Description: 
CHARMm (Chemistry at HARvard Molecular Mechanics) is the academic version of the CHARMM simulation program available through Harvard. CHARMm uses empirical energy functions to describe the forces on atoms in molecules. These functions, plus the parameters for their functions, constitute the CHARMm force field. Well-validated energy and force calculations form the core of a broad range of calculation and simulation capabilities, including calculation of interaction and conformational energies, local minima, barriers to rotation, time-dependent dynamic behavior, free energy, and vibrational frequencies.
The Supercomputing Institute does not own a license to CHARMm. For research groups who have a valid license for CHARMm, we can assist in installing the software within your group/user space. Access to this software, therefore, is restricted to license holders.
Please contact for any installation assistance. For more information, including documentation, goto