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Update ABFE setup notebook to include multiple distance restraints #14

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merged 1 commit into from
Dec 6, 2023

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@fjclark fjclark commented Nov 18, 2023

This updates the ABFE setup notebook with examples showing how to use multiple distance restraints with SOMD or GROMACS. The required changes to BioSimSpace are implemented in this PR: OpenBioSim/biosimspace#178.

This requires the changes to BioSimSpace implemented
here: OpenBioSim/biosimspace#178.
@jmichel80 jmichel80 merged commit 1ed0713 into OpenBioSim:main Dec 6, 2023
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