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Update TUPA.py
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mdpoleto committed Jun 15, 2022
1 parent 1caa815 commit 14cf680
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion TUPA.py
Original file line number Diff line number Diff line change
Expand Up @@ -423,7 +423,7 @@ def pack_around(atom_group, center, boxinfo):
if mode == "atom" or mode == "bond":
for atom in probe_selection.atoms:
if atom in elecfield_selection.atoms:
sys.exit(">>> ERROR: Probe atom(s) within Environment selection (" + str(atom) + ")! Review your environment selection!\n>>> Exiting...\n")
print(">>> WARNING: Probe atom(s) within Environment selection (" + str(atom) + ")! Make sure you know what you are doing!\n>>> Continuing...\n")

###############################################################################
# Verbose output for solvent inclusion in calculation. Selection is done within the trajectory loop
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