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Fix method invocation
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AndrewRadev committed Dec 2, 2024
1 parent 89cc44f commit 541f43a
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2 changes: 1 addition & 1 deletion Snakefile
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Expand Up @@ -154,7 +154,7 @@ rule build_nmd_trajectory:
# but it also seems weird to me to now have two instantiated NormalModes objects
# that aren't connected, or perhaps that doesn't matter for the snakemake logic?
nmd_traj = NormalModes()
nmd_traj.from_nmd(input.nmd_file)
nmd_traj.parse_nmd_file(input.nmd_file)
mda_universe = nmd_traj.generate_trajectory()

writer = TrajectoryWriter(mda_universe)
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