charmm

Summary

• Module Name: charmm

• Support Level: Secondary Support

• Software Access Level: RESTRICTED - Contact Helpdesk

• Home Page: https://www.charmm.org

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 help@msi.umn.edu for any installation assistance. For more information, including documentation, goto http://www.charmm.org

General Linux

To load this module for use in a Linux environment, you can run the command:

module load charmm

Depending on where you are working, there may be more than one version of charmm available. To see which modules are available for loading you can run:

module avail charmm