changed to just updating the 360. value.

bowman-lab · Jul 15, 2024 · 7a8aed4 · 7a8aed4
1 parent 63949d5
commit 7a8aed4
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/enspara/geometry/rotamer.py b/enspara/geometry/rotamer.py
@@ -14,7 +14,7 @@ def dihedral_angles(traj, dihedral_type):
     # transform so angles range from 0 to 360 instead of radians or -180 to 180
     angles = np.rad2deg(angles)
     angles[np.where(angles < 0)] += 360
-    angles[np.where(angles > 359.5)] = 359.5
+    angles[np.where(angles == 360)] = 0
 
     n_angles = angles.shape[1]
     ref_atom_inds = np.zeros(n_angles)