summaryrefslogtreecommitdiff
path: root/sim/src/tests/singlebond_stretch/H2B_AlH2.mmp
blob: 8edab9662800d2f0ec4df9392db27e2c20f2262f (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
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) (5.555626) (-0.000000, -0.000000, -0.323500) (1.000000)
egroup (View Data)
group (H2B_AlH2_c2v)
info opengroup open = True
mol (H2B_AlH2_c2v.pdb) def
atom 1 (13) (0, 0, -650) def
atom 2 (5) (0, 0, 1474) def
bond1 1
atom 3 (1) (-1364, 0, -1477) def
bond1 1
atom 4 (1) (1364, 0, -1477) def
bond1 1
atom 5 (1) (0, -1008, 2124) def
bond1 2
atom 6 (1) (0, 1008, 2124) def
bond1 2
egroup (H2B_AlH2_c2v)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part H2B_AlH2_c2v