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tsoc
openmm
Commits
bf57b12e
Commit
bf57b12e
authored
Jan 04, 2020
by
John Chodera
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Add missing test PDB file
parent
12c9af48
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wrappers/python/tests/systems/formaldehyde.pdb
wrappers/python/tests/systems/formaldehyde.pdb
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wrappers/python/tests/systems/formaldehyde.pdb
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bf57b12e
REMARK 1 CREATED WITH OPENMM 7.4, 2020-01-04
HETATM 1 A 1 0.095 0.011 0.000 1.00 0.00 C
HETATM 2 A 1 0.513 -1.098 -0.004 1.00 0.00 O
HETATM 3 A 1 -1.098 0.149 0.015 1.00 0.00 H
HETATM 4 A 1 0.590 0.938 -0.011 1.00 0.00 H
TER 5 A 1
CONECT 1 2 3 4
CONECT 2 1
CONECT 3 1
CONECT 4 1
END
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