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README.md

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# Introduction
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Duello is a tool to calculate the potential of mean force (PMF) between two ridig bodies, performing a
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Duello is a tool to calculate the potential of mean force (PMF) between two rigid bodies, performing a
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statistical mechanical average over inter-molecular orientations using subdivided icosahedrons.
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For each mass center separation, _R_, the static contribution to the partition function,
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$\mathcal{Z}(R) = \sum_{\mathbf{\Omega}} e^{-V(R,\mathbf{\Omega})/k_BT}$, is explicitly

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