Date of this version of the software: August 24, 2016
QuickFFmn version 2016
Shaohong L. Li and Donald G. Truhlar
Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA
QuickFFmn is an extension of QuickFF1.0.1 by
Louis Vanduyfhuys, Steven Vandenbrande, Toon Verstraelen, R. Schmid, M. Waroquier, V. Van Speybroeck
Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium
QuickFF (http://molmod.github.io/QuickFF) is a Python package for deriving force fields from ab initio input data. This version of QuickFF, called QuickFFmn 2016, is developed at the University of Minnesota based on QuickFF1.0.1 developed at the Ghent University, Belgium, with extra capabilities implemented.
Simons-Parr-Finlan (SPF) potential for bond stretches
Harmonic-cosine potential for valence bends
QuickFFmn license is available free of charge.
QuickFFmn Users Manual
QuickFFmn user or group license form
QuickFFmn site license form
Links to Other Pages of Interest:
This document last modified on August 24, 2016