Chemistry at Harvard Macromolecular Mechanics is a molecular simulation package with broad application to many-particle systems. It contains a comprehensive set of energy functions, enhanced sampling methods, and support for multi-scale techniques.
Sample scripts for CHARMM use are available in directory /opt/packages/examples/charmm on Bridges.
- An example job script is available on Bridges in directory /opt/packages/examples/charmm. See the README file for information on the example job.
- CHARMM web site
To see what versions of CHARMM are available type
module avail charmm
To see what other modules are needed, what commands are available and how to get additional help type
module help charmm
To use CHARMM, include a command like this in your batch script or interactive session to load the charmm module:
module load charmm
Be sure you also load any other modules needed, as listed by the
module help charmm command.