FittingWizard
A JavaFX application that assists the user for performing forcefield parameters optimisation by using Quantum Chemistry and Molecular Dynamics software.
https://github.com/MMunibas/FittingWizard
Florent Hédin (florent.hedin@unibas.ch, devel@fhedin.com) , Markus Meuwly (m.meuwly@unibas.ch)
Most of the python scripts were written by Tristan bereau (https://github.com/tbereau), who initiated the project.
Installation and use
Please check the Wiki at https://github.com/MMunibas/FittingWizard/wiki for detailed instructions.
Ready to use releases (will still have to install some dependencies ! ) : are located here :
https://github.com/MMunibas/FittingWizard/releases
Licensing
Copyright (c) 2017, Florent Hédin, Markus Meuwly, and the University of Basel All rights reserved. The 3-clause BSD license is applied to this software. see LICENSE.txt