diff --git a/create_project_tools/CoordinatesToWorkLammpsDataFile.py b/create_project_tools/CoordinatesToWorkLammpsDataFile.py index b58d0d2..7ac16c1 100644 --- a/create_project_tools/CoordinatesToWorkLammpsDataFile.py +++ b/create_project_tools/CoordinatesToWorkLammpsDataFile.py @@ -81,7 +81,7 @@ def write_(self, f): zhi = 200.0 masses = [12.0, 14.0, 16.0, 12.0, 1.0] if cg and not go: - masses = [27.0, 14.0, 28.0, 60.0, 60.0] + masses = [27.0, 14.0, 28.0, 60.0, 2.0] n_atom_types = 5 if cg: if cg_bonds: n_bond_types = 5