summaryrefslogtreecommitdiff
path: root/sim/src/tests/singlebond_stretch/test_F_OH.mmp
blob: 432078ec146d262a1c57fe8e89600e6e10284cb6 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
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) (3.906946) (0.128500, -0.412000, -0.000000) (1.000000)
egroup (View Data)
group (F_OH_cs)
info opengroup open = True
mol (F_OH_cs.pdb) def
atom 1 (8) (-881, 499, 533) def
atom 2 (9) (289, 18, 573) def
bond1 1
atom 3 (1) (-927, 898, -282) def
bond1 1
egroup (F_OH_cs)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part F_OH_cs