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The aim here is to make a tool to fit (and calculate) non-bonding potential between 2 molecules.The fitted potential can then be used to do QM/MM molecular dynamics.
This package consist of two separate packages PotentialCalculation and PotentialFitting. This separation was made so that potential calculation package does not need to pull visualization packages.
To install use
pkg> registry add https://github.com/MatrixLabTools/PackageRegistry
pkg> add PotentialFitting