Martinize2 is a rewrite of Martinize. It is aimed at producing coarse-grained structures and topologies from an atomistic structure. Martinize is primarily developed for the Martini coarse-grained force field and the Gromacs simulation engine. However the architecture of the program will allow us to support a broader range of force fields and simulation engines in the future.
Vermouth (for VERsatile, MOdular, and Universal Tranformation Helper) is the python library that powers Martinize2. It allows to describe and apply transformation on molecular structures and topologies using graph algorithms.
module spider vermouth-martinize to find out what environment modules are available for this application.
- HPC_VERMOUTH-MARTINIZE_DIR - installation directory
- HPC_VERMOUTH-MARTINIZE_BIN - executable directory