diff --git a/parser/parser-asap/parser_asap.py b/parser/parser-asap/parser_asap.py index 2cde0f94d0dcd8c6df13e01f939f7d65fb997bf3..8f0a99ef15617bda7be8ee5670050d05b7f52f92 100644 --- a/parser/parser-asap/parser_asap.py +++ b/parser/parser-asap/parser_asap.py @@ -104,7 +104,6 @@ def parse(filename): c(f.get_forces(apply_constraint=False), 'eV/angstrom')) with o(p, 'section_sampling_method'): - ds = t.description ensemble_type = 'NVE' # default ensemble_type if ds: # if there is a traj.description if 'timestep' in ds: # timestep in MD