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Fix error
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ensemble_md/cli/run_REXEE.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -318,8 +318,8 @@ def main():
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if rank == 0:
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# If previous swaps were performed undo them
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for j in range(REXEE.n_sim):
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gro_backup = f'{REXEE.working_dir}/sim_{swap_list[j][0]}/iteration_{i-1}/confout_backup.gro'
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gro = f'{REXEE.working_dir}/sim_{swap_list[j][0]}/iteration_{i-1}/confout.gro'
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gro_backup = f'{REXEE.working_dir}/sim_{j}/iteration_{i-1}/confout_backup.gro'
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gro = f'{REXEE.working_dir}/sim_{j}/iteration_{i-1}/confout.gro'
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if os.path.exists(gro_backup):
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os.rename(gro_backup, gro)
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