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add missed check num_steps
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jamesmkrieger committed Oct 31, 2024
1 parent 91df3c2 commit 0054021
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion prody/dynamics/anmd.py
Original file line number Diff line number Diff line change
Expand Up @@ -100,7 +100,10 @@ def runANMD(atoms, num_modes=2, max_rmsd=2., num_steps=2, tolerance=10.0,

if not isinstance(num_modes, int):
raise TypeError('num_modes should be an integer')


if not isinstance(num_steps, int):
raise TypeError('num_steps should be an integer')

if not isinstance(max_rmsd, Number):
raise TypeError('max_rmsd should be a float')

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