martini-forcefields | molecule parameters for the Martini3 force

martini-forcefields is a Python library. martini-forcefields has no bugs, it has no vulnerabilities, it has build file available, it has a Permissive License and it has low support. You can download it from GitHub.

This repository contains parameters of the Martini force field for version 3 and higher, released by the Marrink lab and collaborators. Details on parametrization of the bead-bead interactions and rules for creating new molecules can be found in the recent publication. The files, which contain the interaction and molecule definitions, are in GROMACS itp/top format. In addition, files in vermouth-format are present, which can be used by programs such as martinize2 or polyply. Such files store the definitions of the protein model for example. In the future this repository will expose python entry points for reading in and handling datafiles, both itp and ff with the vermouth python library. The python aspect of this package is currently under construction. Force field interaction parameters are defined by the major releases (i.e. v3.X.Y) and follow a versioning scheme, which defines compatibility, as outlined below. Molecule parameters are defined by the major release and a single version indicator (e.g. martini_v3.0.0_ions_v1). Different versions typically refer to more refined models, where mapping, bead assigment or bonded interactions were updated. To cite the Martini3 line of force fields (v3.X.Y) please use this citation. Please note that molecule parameters have been optimized in separate publications by great efforts of many people. To give appropriate credit, please also cite the applicable publications for the molecules you used (see Table below).