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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


Abstract

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
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    QuickFFmn license is available free of charge.

    QuickFFmn Users Manual

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    Software Availability

    QuickFFmn user or group license form
    QuickFFmn site license form
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    This document last modified on August 24, 2016  by Software Manager