def test_load_chamber_prmtop(): top = prmtop.load_prmtop(get_fn('ala3_chamber.parm7')) eq(top.n_atoms, 33) eq(top.n_residues, 3) eq(top.n_bonds, 32) eq(top.n_chains, 1)
def test_load_prmtop(): top = prmtop.load_prmtop(get_fn('alanine-dipeptide-implicit.prmtop')) ref_top = md.load(get_fn('native.pdb')).topology eq(top, ref_top)