CHARMM

eagle-i ID

Resource Type

Properties

1. Resource Description

   "CHARMM (Chemistry at HARvard Macromolecular Mechanics): Is a versatile and widely used molecular simulation program with broad application to many-particle systems. Has been developed with a primary focus on the study of molecules of biological interest, including peptides, proteins, prosthetic groups, small molecule ligands, nucleic acids, lipids, and carbohydrates, as they occur in solution, crystals, and membrane environments Provides a large suite of computational tools that encompass numerous conformational and path sampling methods, free energy estimates, molecular minimization, dynamics, and analysis techniques, and model-building capabilities Is useful for a much broader class of many-particle systems Can be utilized with various energy functions and models, from mixed quantum mechanical-molecular mechanical force fields, to all-atom classical potentials with explicit solvent and various boundary conditions, to implicit solvent and membrane models Has been ported to numerous platforms in both serial and parallel architectures"

2. Additional Name

   Chemistry at HARvard Macromolecular Mechanics

3. Contact

   Southerland, William, Ph.D.

4. Used by

   CCBB

5. Version

   C30b1

6. Version

   C31a1

7. Version

   C32b2

8. Website(s)

   http://www.charmm.org/

9. Related Technique

   Computational modeling technique