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openmm.jl: fix missing end statement
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axsk committed Aug 14, 2024
1 parent fc937ab commit 93a15cf
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1 change: 1 addition & 0 deletions src/simulators/openmm.jl
Original file line number Diff line number Diff line change
Expand Up @@ -120,6 +120,7 @@ function featurizer(sim::OpenMMSimulation)
elseif sim.features == :all
if length(getcoords(sim)) > 100
@warn "Computing _all_ pairwise distances for a bigger (>100 atoms) molecule. Try using a cutoff by setting features::Number in OpenMMSimulatioon"
end
return ISOKANN.flatpairdists
else
error("unknown featurizer")
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