Example #1
0
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)
Example #2
0
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)
Example #3
0
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)
Example #4
0
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)