IndexError: list index out of range

[TheRayman98]

Hello, I'm sorry to bother, recently i've been trying to run dp5 software through the GUI. Since the molecule I'm using is rather big, generating all the diasteromers would require plenty of time, they're around 1024, therefore i ran every option except generating the diasteromers and DP4 since i'm using a single .sdf as my plausible structure. Unfortunately, while processing the spectra, the program ends abruptly. I'll add the log file here, and what my console outputs. The last thing that can be read from the GUI's status window is assigning carbon spectra

DP4_log.log:

Settings read from settings.cfg:
SCHRODINGER: /opt/schrodinger2020-3
TinkerPath: /home/amd/Tinker-FFE/tinker
NWChemPath: nwchem
GausPath: g16
/home/amd/Escritorio/hotx/DP5/DP5_SDI
Current working directory: /home/amd/Escritorio/hotx/DP5/DP5_SDI
Initial input files: ['hura']
NMR file: [PosixPath('/home/amd/Escritorio/hotx/DP5/DP5_SDI/NMR_data/Proton'), PosixPath('/home/amd/Escritorio/hotx/DP5/DP5_SDI/NMR_data/Carbon')]
Workflow: cmeonw
Generated input files: ['huracleaned']

Assuming all computations are done? ... False
Using preexisting DFT data? ... False
MacroModel

Setting up MacroModel files...
Macromodel input for huracleaned prepared.
MacroModel inputs: ['huracleaned.mae']
Running MacroModel...
Valid huracleaned.log exists, skipping...

Reading conformers...
huracleaned.log is matching conformational search output for huracleaned
Energy window: 10.0 kJ/mol
huracleaned: 568 conformers read within energy window

Pruning conformers...
huracleaned: 88 conformers after pruning with 4.350000000000001A RMSD cutoff

Setting up geometry optimization calculations...

Running geometry optimization calculations...

Running Gaussian DFT geometry optimizations locally...
There were no jobs to run.

Reading DFT optimized geometries...

Setting up energy calculations...

Running energy calculations...

Running Gaussian DFT energy calculations locally...
There were no jobs to run.

Reading data from the output files...
Energies:
huracleaned: [-1926.16452824, -1926.16450918, -1926.16447126, -1926.16400698, -1926.16397977, -1926.16446481, -1926.16327809, -1926.16354787, -1926.16449854, -1926.16475285, -1926.16472925, -1926.16465968, -1926.16394088, -1926.16298811, -1926.16420241, -1926.16421294, -1926.1636229, -1926.16357179, -1926.16360692, -1926.16309233, -1926.16364842, -1926.16358123, -1926.16356962, -1926.16357348, -1926.16356046, -1926.16416772, -1926.16359503, -1926.16351679, -1926.16356175, -1926.16310197, -1926.16310845, -1926.16308911, -1926.16306984, -1926.16308137, -1926.16466242, -1926.16469343, -1926.16266047, -1926.16462448, -1926.16313825, -1926.16265188, -1926.16308004, -1926.16312505, -1926.16381423, -1926.16382986, -1926.16300836, -1926.16213239, -1926.16217774, -1926.16213099, -1926.163272, -1926.16258666, -1926.16279785, -1926.16270608, -1926.16270821, -1926.16273274, -1926.16263441, -1926.16251828, -1926.16207504, -1926.16216546, -1926.16271345, -1926.16331459, -1926.16380233, -1926.16287046, -1926.16281416, -1926.16466464, -1926.16326436, -1926.16382012, -1926.16263037, -1926.16373305, -1926.16374994, -1926.16268354, -1926.16168066, -1926.16268803, -1926.16238019, -1926.16172484, -1926.16239693, -1926.16283407, -1926.1636858, -1926.16371056, -1926.16293386, -1926.16322854, -1926.16328733, -1926.16264789, -1926.16293457, -1926.16152607, -1926.16156797, -1926.16323515, -1926.16279523, -1926.16279065]

Setting up NMR calculations...

Running NMR calculations...

Running Gaussian DFT NMR calculations locally...
There were no jobs to run.

Reading data from the output files...
huracleanedginp001.out 90
huracleanedginp002.out 90
huracleanedginp003.out 90
huracleanedginp004.out 90
huracleanedginp005.out 90
huracleanedginp006.out 90
huracleanedginp007.out 90
huracleanedginp008.out 90
huracleanedginp009.out 90
huracleanedginp010.out 90
huracleanedginp011.out 90
huracleanedginp012.out 90
huracleanedginp013.out 90
huracleanedginp014.out 90
huracleanedginp015.out 90
huracleanedginp016.out 90
huracleanedginp017.out 90
huracleanedginp018.out 90
huracleanedginp019.out 90
huracleanedginp020.out 90
huracleanedginp021.out 90
huracleanedginp022.out 90
huracleanedginp023.out 90
huracleanedginp024.out 90
huracleanedginp025.out 90
huracleanedginp026.out 90
huracleanedginp027.out 90
huracleanedginp028.out 90
huracleanedginp029.out 90
huracleanedginp030.out 90
huracleanedginp031.out 90
huracleanedginp032.out 90
huracleanedginp033.out 90
huracleanedginp034.out 90
huracleanedginp035.out 90
huracleanedginp036.out 90
huracleanedginp037.out 90
huracleanedginp038.out 90
huracleanedginp039.out 90
huracleanedginp040.out 90
huracleanedginp041.out 90
huracleanedginp042.out 90
huracleanedginp043.out 90
huracleanedginp044.out 90
huracleanedginp045.out 90
huracleanedginp046.out 90
huracleanedginp047.out 90
huracleanedginp048.out 90
huracleanedginp049.out 90
huracleanedginp050.out 90
huracleanedginp051.out 90
huracleanedginp052.out 90
huracleanedginp053.out 90
huracleanedginp054.out 90
huracleanedginp055.out 90
huracleanedginp056.out 90
huracleanedginp057.out 90
huracleanedginp058.out 90
huracleanedginp059.out 90
huracleanedginp060.out 90
huracleanedginp061.out 90
huracleanedginp062.out 90
huracleanedginp063.out 90
huracleanedginp064.out 90
huracleanedginp065.out 90
huracleanedginp066.out 90
huracleanedginp067.out 90
huracleanedginp068.out 90
huracleanedginp069.out 90
huracleanedginp070.out 90
huracleanedginp071.out 90
huracleanedginp072.out 90
huracleanedginp073.out 90
huracleanedginp074.out 90
huracleanedginp075.out 90
huracleanedginp076.out 90
huracleanedginp077.out 90
huracleanedginp078.out 90
huracleanedginp079.out 90
huracleanedginp080.out 90
huracleanedginp081.out 90
huracleanedginp082.out 90
huracleanedginp083.out 90
huracleanedginp084.out 90
huracleanedginp085.out 90
huracleanedginp086.out 90
huracleanedginp087.out 90
huracleanedginp088.out 90
Shieldings:
huracleaned:
[-190.8178, -30.6785, 43.5219, 175.1914, 13.0533, 135.0744, 28.3736, 101.5314, 182.3892, 147.9468, 166.4834, 151.0705, 98.9412, 29.1548, 166.437, 71.8456, 172.0941, 65.7915, 60.2852, 47.5757, 54.1734, 39.67, 148.8884, 153.2253, 153.1137, 152.9684, 152.9446, 152.7817, 151.4892, 160.0848, 186.6644, 101.0272, 27.87, 146.6838, 29.2718, 117.2425, 28.7589, 270.6802, 125.8327, 115.2673, 304.9165, 108.5774, 306.5157, 112.7809, 282.1209, 29.5349, 26.3564, 25.1871, 25.7524, 25.8307, 27.7903, 30.2857, 30.1774, 30.2251, 24.1796, 31.2354, 31.1344, 30.3963, 30.3621, 29.8602, 30.2432, 29.8945, 30.4285, 27.1084, 26.9762, 29.8735, 29.7523, 30.4964, 30.6984, 30.6276, 30.6712, 30.6497, 30.6555, 30.667, 30.6764, 30.6783, 30.6726, 30.714, 30.7205, 30.6407, 30.6444, 27.5407, 29.0708, 29.7971, 27.8941, 28.7659, 171.6627, 31.1372, 31.1367, 30.8971]

here go more shieldings and the file ends in shieldings

Console output:

(dp5_env) amd@amd-MS-7E27:~/dp5_env/DP5$ python3 PyDP4_GUI.py
QLayout: Attempting to add QLayout "" to CalculationTab "", which already has a layout
QLayout: Attempting to add QLayout "" to CalculationTab "", which already has a layout
QLayout: Attempting to add QLayout "" to CalculationTab "", which already has a layout
QLayout: Attempting to add QLayout "" to CalculationTab "", which already has a layout

*** Open Babel Error in ReadFile
Cannot read from huracleaned
Traceback (most recent call last):
File "PyDP4_GUI.py", line 2600, in runPyDP4
self.NMRData, self.Isomers, self.settings, self.DP4Data,self.DP5Data = PyDP4.main(ui.table_widget.Tab1.settings)
File "/home/amd/dp5_env/DP5/PyDP4.py", line 498, in main
DP5data = DP5.ProcessIsomers(DP5data, Isomers, settings)
File "/home/amd/dp5_env/DP5/DP5.py", line 302, in ProcessIsomers
dp5Data.AtomReps[-1][-1].append(conf_rep[ind])
IndexError: list index out of range
Abortado (`core' generado)

I hope this information is enough. Thank you for your help