OpenMM does not give progress for minimization, just wait... /home/ubuntu/miniconda3/lib/python3.8/site-packages/openmm/app/internal/pdbstructure.py:537: UserWarning: WARNING: duplicate atom (ATOM 1 HO5' A A 1 0.246 -1.951 0.293 1.00 0.00 H , ATOM 1 HO5' A A 1 0.246 -1.951 0.293 1.00 0.00 H ) warnings.warn("WARNING: duplicate atom (%s, %s)" % (atom, old_atom._pdb_string(old_atom.serial_number, atom.alternate_location_indicator))) example1 (2).pdb ... Traceback (most recent call last): File "/home/ubuntu/rna-tools/rna_tools/tools/md/rna_minimize.py", line 54, in modeller.addHydrogens(forcefield) File "/home/ubuntu/miniconda3/lib/python3.8/site-packages/openmm/app/modeller.py", line 946, in addHydrogens system = forcefield.createSystem(newTopology, rigidWater=False, nonbondedMethod=CutoffNonPeriodic) File "/home/ubuntu/miniconda3/lib/python3.8/site-packages/openmm/app/forcefield.py", line 1206, in createSystem templateForResidue = self._matchAllResiduesToTemplates(data, topology, residueTemplates, ignoreExternalBonds) File "/home/ubuntu/miniconda3/lib/python3.8/site-packages/openmm/app/forcefield.py", line 1420, in _matchAllResiduesToTemplates raise ValueError('No template found for residue %d (%s). %s' % (res.index+1, res.name, _findMatchErrors(self, res))) ValueError: No template found for residue 1 (A). The set of atoms matches AN, but the bonds are different. Perhaps the chain is missing a terminal group? DONE!