diff --git a/alchemical_analysis/parser_gromacs.py b/alchemical_analysis/parser_gromacs.py index 96c008f..399f759 100644 --- a/alchemical_analysis/parser_gromacs.py +++ b/alchemical_analysis/parser_gromacs.py @@ -146,7 +146,6 @@ def slice_data(data, state=state): data = data.reshape((-1, self.len_first)) if self.bExpanded: - dhdlt[state, :, nsnapshots_l[state]:nsnapshots_r[state]] for k in range(K): mask_k = (data[:, 1] == k) data_k = data[mask_k]