OpenMM does not give progress for minimization, just wait... ariafit_1_slc.pdb ... Traceback (most recent call last): File "/home/ubuntu/rna-tools/rna_tools/tools/md/rna_minimize.py", line 42, in pdb = PDBFile(f) File "/home/ubuntu/miniconda3/lib/python3.8/site-packages/openmm/app/pdbfile.py", line 95, in __init__ pdb = PdbStructure(inputfile, load_all_models=True, extraParticleIdentifier=extraParticleIdentifier) File "/home/ubuntu/miniconda3/lib/python3.8/site-packages/openmm/app/internal/pdbstructure.py", line 152, in __init__ self._load(input_stream) File "/home/ubuntu/miniconda3/lib/python3.8/site-packages/openmm/app/internal/pdbstructure.py", line 164, in _load self._add_atom(Atom(pdb_line, self, self.extraParticleIdentifier)) File "/home/ubuntu/miniconda3/lib/python3.8/site-packages/openmm/app/internal/pdbstructure.py", line 782, in __init__ y = float(pdb_line[38:46]) ValueError: could not convert string to float: ' 4.801 -' DONE!