diff --git a/tools/make_mat/make_mat.py b/tools/make_mat/make_mat.py index 0542c2ee..7a91060a 100644 --- a/tools/make_mat/make_mat.py +++ b/tools/make_mat/make_mat.py @@ -20,8 +20,7 @@ from multiego import fileio as io _DEFAULT_C12 = { - atom_name: rc_c12 - for atom_name, rc_c12 in zip(type_definitions.gromos_atp.name, type_definitions.gromos_atp.rc_c12) + atom_name: rc_c12 for atom_name, rc_c12 in zip(type_definitions.gromos_atp.name, type_definitions.gromos_atp.rc_c12) } COLUMNS = ["mi", "ai", "mj", "aj", "c12dist", "p", "cutoff"]