diff --git a/ensemble_md/cli/run_REXEE.py b/ensemble_md/cli/run_REXEE.py index 7ca4b89..435b38c 100644 --- a/ensemble_md/cli/run_REXEE.py +++ b/ensemble_md/cli/run_REXEE.py @@ -336,8 +336,8 @@ def main(): print('\n----- Saving .npy files to checkpoint the simulation ---') np.save(args.ckpt, REXEE.rep_trajs) - if REXEE.fixed_weights is not True: - np.save(args.equil, REXEE.equil) + if REXEE.fixed_weights is not True: + np.save(args.equil, REXEE.equil) # Save the npy files at the end of the simulation anyway. if rank == 0: