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CHARMM is an academic research program used world-wide for macromolecular dynamics and mechanics (http://www.charmm.org). It stands for Chemistry at HARvard Macromolecular Mechanics. Its development began in the research group of Professor Martin Karplus at Harvard University and continues throughout the world with contributing developers.

CHARMM performs standard molecular dynamics and energy minimization with the potential energy functions for proteins, nucleic acids, lipids, and carbohydrates. In addition, CHARMM can be used for various chemical and conformational free energy calculations with many types of restraints. It also provides versatile analysis and manipulation tools of atomic coordinates and dynamics trajectories.

CHARMM-GUI is being developed to make this powerful program more user friendly with the following objectives:

  • Provide (optimal, reasonable) CHARMM input files in a GUI fashion so that people can run the input on their machine,
  • Help people read and modify the input with their purposes, and
  • Provide also educational materials such as MM/MD lectures, as well as molecular animations.

The CHARMM-GUI team hopes that the tools and materials offered here are useful and helpful for your research and education.

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