summaryrefslogtreecommitdiff
path: root/sim/src/tests/singlebond_stretch/Cl_F.mmp
blob: aece8e2666a4a9de481c7216b855feb38cd8c9e6 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
mmpformat 050502 required; 050706 preferred
kelvin 300
group (View Data)
info opengroup open = True
csys (HomeView) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000)
csys (LastView) (1.000000, 0.000000, 0.000000, 0.000000) (3.663772) (-0.000000, -0.000000, 0.247000) (1.000000)
egroup (View Data)
group (Cl_F_c4v)
info opengroup open = True
mol (Cl_F_c4v.pdb) def
atom 1 (9) (0, 0, -1082) def
atom 2 (17) (0, 0, 588) def
bond1 1
egroup (Cl_F_c4v)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part Cl_F_c4v