Atif

https://github.com/jiangj-physchem/Atif

Atif is an advanced theoretical tool for inhomogeneous fluids. Atif can be used to study many kinds of fluids near a dielectric interface (allow dielectric constant discontinuity):

    hard sphere fluids with size symmetry/asymmetry

    electrolytes including size symmetry/asymmetry and monovalent/multivalent ions

    flexible and semiflexible uncharged/charged polymers (polyelectrolytes)

    block uncharged/charged polymers and sequential uncharged/charged polymers

 

AMOFMS

https://github.com/JiangGroup/AMOFMS

AMOFMS is an open-source software package fully developed in Python3, using GROMACS (85,86) and MDAnalysis (87) for molecular dynamics simulations and data extraction, respectively. The package is available for easy installation and upgrades through pip, ensuring user-friendly accessibility. The source code and MARTINI2 dataset can be obtained via GitHub (https://github.com/JiangGroup/AMOFMS), allowing users to download, customize, and contribute to the software’s development. Comprehensive documentation including the optimization details of POPC and PEO examples (https://amofms.readthedocs.io) is provided to facilitate usability.