CHARMM
| CHARMM | |
|---|---|
| Basic data
|
|
| developer | Martin Karplus , Accelrys |
| Publishing year | 1983 |
| Current version | 42b1 (September 27, 2017) |
| operating system | Unix |
| programming language | Fortran |
| category | Simulation software |
| License | commercial ($ 600 for academics) |
| German speaking | No |
| www.charmm.org | |
CHARMM ( C hemistry at Har vard M acromolecular M echanics ) is a program for molecular dynamics calculations of (biological) macromolecules such as proteins and DNA . Furthermore, CHARMM is associated with a number of force fields . The software itself is maintained by the chemistry faculty at Harvard University and further developed in various working groups around the world using Fortran .
CHARMM force field
Besides the AMBER and GROMACS force fields, the CHARMM force field is one of the most widely used and is supported by a number of other programs such as NAMD . While the simulation program is being maintained at Harvard University, the force field is being further developed in Alexander MacKerell's group at the University of Maryland . The force fields are available for download free of charge .
See also
Web links
- CHARMM website
- CHARMM tutorial
- CHARMM website at Harvard
- VMD - visualization of CHARMM trajectories
- Docking @ Home
- CHARMM-GUI project
- CHARMM force fields