Skip to content

Commit 0ac02af

Browse files
committed
removal of duplicated timestep slice within the united atom level calculations
1 parent 3214289 commit 0ac02af

1 file changed

Lines changed: 0 additions & 1 deletion

File tree

CodeEntropy/entropy.py

Lines changed: 0 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -104,7 +104,6 @@ def execute(self):
104104

105105
# Get matrices for vibrational entropy calculations
106106
if level == "united_atom":
107-
mol_container.trajectory[time_index]
108107
for res_id, residue in enumerate(mol_container.residues):
109108
key = (molecule_id, res_id)
110109

0 commit comments

Comments
 (0)