Poltype hanging after Gaussian opt-1- same as Issue #5

[CallumFrEllis]

Hi Poltype team,
I am trying to parameterise a modified glutamine molecule, and I am getting the same error as Jacek, with poltype.py completing the g09 calculation and generating the opt_1.log file, with Gaussian finishing normally, but then it is hanging indefinitely, poltype.ini and end of .log files below. The opt_1.log file does have 'RMS Error' in the text but this was fixed?

Can't see any glaring errors so any suggestions would be great appriciated. Installed this week so should be the latest commit.

Thanks,

Callum

opt-1.log:
-- CICERO
Job cpu time: 0 days 4 hours 39 minutes 44.3 seconds.
File lengths (MBytes): RWF= 1152 Int= 0 D2E= 0 Chk= 24 Scr= 16
Normal termination of Gaussian 09 at Wed Jan 8 11:30:55 2025.

poltype.log:
Wed Jan 8 11:19:04 2025 Atom Type Classification
Wed Jan 8 11:19:04 2025 Calling: python "/mainfs/scratch/ce3g12/2ndRotation/3rd_year/poltype/master/PoltypeModules/lConformerGenerator.py" -i poltype_methyl_ester.sdf
Wed Jan 8 11:19:14 2025 Running on host: red313.cluster.local
Wed Jan 8 11:19:14 2025 QM Geometry Optimization
Wed Jan 8 11:19:15 2025 Submitting: GAUSS_SCRDIR=/scratch/ce3g12/Gau-poltype_methyl_ester /local/software/gaussian/g09/g09 poltype_methyl_ester-opt_1.com path = /mainfs/scratch/ce3g12/2ndRotation/3rd_year/poltype/master/PoltypeModules/methyl_ester_gas/Temp

poltype.ini:
structure=poltype_methyl_ester.sdf
addhydrogens=True
use_gaus