Input files for binding energy calculations in "Coupling finite and boundary element methods to solve the Poisson--Boltzmann equation for electrostatics in molecular solvation"

<p>Input files (meshes, pqr, cavities)&nbsp;for binding energy calculations in the manuscript &quot;Coupling finite and boundary element methods to solve the Poisson--Boltzmann equation for electrostatics in molecular solvation&quot; (preprint at&nbsp;https://arxiv.org/abs/2305.11886). This&nbsp;data set of molecular structures was originally proposed by Harris, R.C., Boschtisch, A.H., and Fenley, M.O., JCTC 9 (8) (2013) (<a href="https://doi.org/10.1021/ct300765w">https://doi.org/10.1021/ct300765w</a>). Scripts to generate results are available in&nbsp;https://github.com/MichalBosy/FEM_BEM_coupling/.</p>