CHARMM-GUI

Since its original development in 2006, CHARMM-GUI has proven to be an ideal web-based platform to interactively build complex systems and prepare their inputs with well-established and reproducible simulation protocols for state-of-the-art biomolecular simulations using widely used simulation packages such as CHARMM, NAMD, GROMACS, AMBER, GENESIS, LAMMPS, Desmond, and OpenMM. The CHARMM-GUI development project has been widely adopted for various purposes and now contains a number of different modules designed to set up a broad range of biomolecular simulation systems in Input Generator. Many original modules were developed as an in-house effort, but we have established close collaborations with the developers of CHARMM and other MD simulation packages for addition of newer modules.