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Better docstring.
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ijpulidos committed Jul 27, 2023
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Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions perses/app/relative_setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -924,8 +924,10 @@ def _handle_charge_changes(self, topology_proposal, new_positions):

def _store_phase_topologies(self, phase: str):
"""
Stores topologies and positions in PDB file for the given the phase. Stores both solvent and solute
whenever possible (only "solute" in vacuum).
Stores topologies and positions in PDB file for the given the phase, for both the initial (old) and final (new)
states. Stores both solvent and solute whenever possible (only "solute" in vacuum).
Generates two PDB files, one for each state (old/new).
Notes
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