CHARMM

Molecular meachanics and dynamics

Description

CHARMm

Version

Accelrys version 34.1 has been installed on Hippu and Murska.

Description

CHARMm is a general and flexible software application for modelling the structure and behavior of molecular systems. A variety of systems, from an individual organic molecule to a large oligomeric protein in its solvent environment, can be simulated. You can use CHARMm as a standalone program or within Discovery Studio,  graphical molecular modeling program.

Usage

To use the standalone version of CHARMm in Hippu or murska give command:

charmm

Manuals

• CHARMm WWW-manual (Requires a password. Ask Kimmo.Mattila@csc.fi)

Reference

CHARMM (Chemistry at HARvard Molecular Mechanics)

Original paper:

B. R. Brooks, R. E.Bruccoleri, B. D. Olafson, D. J. States, 
S. Swaminathan and M. Karplus (1983)

CHARMM: A Program for Macromolecular Energy, Minimization, and Dynamics 
Calculations.

J. Comp. Chem. 4. 187-217