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set initial velocity to zero after reading from a pdb file
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test/water_test.jl

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -197,7 +197,7 @@ ENDMDL")
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@test bodies[3].H2.r[2] - 1.7715 0.0 atol = ε
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@test bodies[3].H2.r[3] - 0.6214 0.0 atol = ε
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@test bodies[3].H2.v[1] - -0.2 0.0 atol = ε
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@test bodies[3].H2.v[1] - 0.0 0.0 atol = ε
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@test bodies[3].H2.v[2] - 0.0 0.0 atol = ε
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@test bodies[3].H2.v[3] - 0.0 0.0 atol = ε
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end

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