We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent f4f833e commit ee284deCopy full SHA for ee284de
ensemble_md/cli/run_REXEE.py
@@ -318,8 +318,8 @@ def main():
318
if rank == 0:
319
# If previous swaps were performed undo them
320
for j in range(REXEE.n_sim):
321
- gro_backup = f'{REXEE.working_dir}/sim_{swap_list[j][0]}/iteration_{i-1}/confout_backup.gro'
322
- gro = f'{REXEE.working_dir}/sim_{swap_list[j][0]}/iteration_{i-1}/confout.gro'
+ gro_backup = f'{REXEE.working_dir}/sim_{j}/iteration_{i-1}/confout_backup.gro'
+ gro = f'{REXEE.working_dir}/sim_{j}/iteration_{i-1}/confout.gro'
323
if os.path.exists(gro_backup):
324
os.rename(gro_backup, gro)
325
0 commit comments