From 0054021c24bc7e43c1042db64b1169b8c58db990 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Thu, 31 Oct 2024 14:49:18 +0000 Subject: [PATCH] add missed check num_steps --- prody/dynamics/anmd.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/prody/dynamics/anmd.py b/prody/dynamics/anmd.py index 47a22893e..1f583a239 100755 --- a/prody/dynamics/anmd.py +++ b/prody/dynamics/anmd.py @@ -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')