CHARMm is a program for macromolecular simulations, including energy minimization, molecular dynamics and Monte Carlo simulations. The current version of CHARMm on our machines is 32b1.

Highlights: This package is a popular and useful package for biologists doing molecular modeling and computation.

Availability and Setup

CHARMm version 32.1 is available on the Shared Computing Cluster (SCC).

To use CHARMm in an interactive session, type:

scc1% charmm < infile > outfile

Longer running jobs should be submitted to the batch system. Consult the Submitting your Batch Job page for details.

Using CHARMm

CHARMm is somewhat outside of our fields of expertise and we are therefore unable to provide more detailed help and instructions on the package’s use. You will need to experiment with it and consult the online documentation, linked below.

Additional Help/Documentation

Online documentation for CHARMm c32b1 is available at /usr/local/charmm/docs/Charmm32.Html

For more information, visit the Accelrys web site as they are the resellers of CHARMm. Also visit the development site for CHARMm.