Looking for the code? Please visit the GitHub repository: https://github.com/leeping/forcebalance
ForceBalance is free software for force field optimization.
The main goal of ForceBalance is to facilitate the development of more accurate force fields using a systematic and reproducible procedure.
ForceBalance is versatile and can optimize anything from a MM force field to a Gaussian basis set, using high-level theoretical calculations and/or experimental measurements as reference data.
If you are interested, please download the software and feel free to contact me (Lee-Ping) for more information!
Available Downloads and Their Potential Uses: Here you can download ForceBalance, the free software package for systematic force field optimization.
We also host GROMACS 4.5.5-wcv, a version of GROMACS with the QTPIE fluctuating-charge force field and an improved exponential-6 vdW function.
Purpose/Synopsis: ForceBalance is a powerful and highly versatile software package for force field optimization.
Audience: Users and developers of molecular mechanics, and beyond.
Long Term Goals and Related Uses: We aim to facilitate the difficult task of force field development of with a general unified methodology, paving the way toward higher accuracy and improved reproducibility.
Ontology Classification: Computational_Model, Model_Fitting_Algorithm, Modeling_and_Simulation, Molecular_Dynamics, Molecular_Force_Field_Calculator, Molecular_Model
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Keywords: balance, force field, gromacs, openmm, optimization, parameterization, potential
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