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Backup old HILLS file. [ref #194]
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lohedges committed Apr 14, 2021
1 parent e5fa84a commit b828ef0
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1 change: 1 addition & 0 deletions python/BioSimSpace/Process/_openmm.py
Original file line number Diff line number Diff line change
Expand Up @@ -774,6 +774,7 @@ def _generate_config(self):
self.addToConfig( " current_steps = int(sim_log_file[-1].split(',')[1])")
self.addToConfig( " steps -= current_steps")
self.addToConfig( " shutil.copy('COLVAR.npy','old_COLVAR.npy')")
self.addToConfig( " shutil.copy('HILLS','old_HILLS')")
self.addToConfig(f" shutil.copy('{self._name}.dcd','old_{self._name}.dcd')")

# Add the reporters.
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