Error in prepare_dual_topology.py while working on perturbation pose coordinates

[dpetrov835]

Hi,
I am doing the free energy perturbation between 47 ligands using OPLS-AA force field and TIP3P water model. prepare_dual_topology.py gives me this error:
================ Working on pairs ================
Perturbation Pose Coordinates
===== Working on 4MUder_ligand_0046-MEF-122 ======
Traceback (most recent call last):
File "/home/petrov/PyAutoFEP/all_classes.py", line 1343, in add_bond
this_bond = namedlist('BondData', self.__bonddata_fields[-1], defaults=[''])(*this_bond_data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/petrov/PyAutoFEP/all_classes.py", line 87, in init
raise TypeError("init() missing {} required arguments"
TypeError: init() missing 2 required arguments

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
File "/home/petrov/PyAutoFEP/prepare_dual_topology.py", line 4448, in
merged_data = merge_topologies.merge_topologies(ligands_dict[state_a_name]['molecule'],
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/petrov/PyAutoFEP/merge_topologies.py", line 816, in merge_topologies
topology1 = all_classes.TopologyData(file_topology1, verbosity=verbosity)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/petrov/PyAutoFEP/all_classes.py", line 947, in init
self.read_topology(topology_files, verbosity=verbosity)
File "/home/petrov/PyAutoFEP/all_classes.py", line 1914, in read_topology
self.add_bond(each_line, actual_moleculetype)
File "/home/petrov/PyAutoFEP/all_classes.py", line 1347, in add_bond
this_bond = namedlist('BondDataDual', self.__bonddata_fields_dualtop[int(this_bond_data[2])],
~~~~~~~~~~~~~~^^^
IndexError: list index out of range

I'm confused what it could even state for. Please, explain me what does is mean. I use generic pose reader, all the ligands have mol structure and itp topology, there is optimal perturbation map in the progress file. Thanks)