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Failed test file simulation #2

@AlexRizk12

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@AlexRizk12

hello,

I tested a simulation with the test file and obtained this error:

WARNING: "acemd3" is depricated and will be removed in a future release! Use "acemd" instead
@> 226933 atoms and 1 coordinate set(s) were parsed in 1.25s.
Traceback (most recent call last):
File "/home/alexandre/Downloads/SuMD-main/test_folder/test/suMD.py", line 646, in
Monitor1.ANA('suMD-step{}.dcd'.format(su.stepsuMD), 'attempting')
File "/home/alexandre/Downloads/SuMD-main/test_folder/test/suMD.py", line 148, in ANA
self.distance_dcd(fdcd, self.distance_pdb("Distance-step1.dat"))
File "/home/alexandre/Downloads/SuMD-main/test_folder/test/suMD.py", line 101, in distance_pdb
binding_site = self.structure.select("{} and resid {} and not ({}) and not water".format(str(self.main_ch),(self.site), self.lig))
File "/home/alexandre/anaconda3/envs/sumd/lib/python3.10/site-packages/prody/atomic/atomic.py", line 232, in select
return SELECT.select(self, selstr, **kwargs)
File "/home/alexandre/anaconda3/envs/sumd/lib/python3.10/site-packages/prody/atomic/select.py", line 894, in select
indices = self.getIndices(atoms, selstr, **kwargs)
File "/home/alexandre/anaconda3/envs/sumd/lib/python3.10/site-packages/prody/atomic/select.py", line 952, in getIndices
torf = self.getBoolArray(atoms, selstr, **kwargs)
File "/home/alexandre/anaconda3/envs/sumd/lib/python3.10/site-packages/prody/atomic/select.py", line 1003, in getBoolArray
parser = self._getParser(selstr)
File "/home/alexandre/anaconda3/envs/sumd/lib/python3.10/site-packages/prody/atomic/select.py", line 1102, in _getParser
parser.enablePackrat()
File "/home/alexandre/anaconda3/envs/sumd/lib/python3.10/site-packages/pyparsing/util.py", line 265, in _inner
return fn(*args, **kwargs)
File "/home/alexandre/anaconda3/envs/sumd/lib/python3.10/site-packages/pyparsing/core.py", line 1132, in enable_packrat
ParserElement.packrat_cache = _FifoCache(cache_size_limit) # type: ignore[assignment]
File "/home/alexandre/anaconda3/envs/sumd/lib/python3.10/site-packages/pyparsing/util.py", line 105, in init
keyring = [object()] * size
TypeError: can't multiply sequence by non-int of type 'Forward'

Any tips on how to solve it ?

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