summaryrefslogtreecommitdiff
path: root/sim/src/tests/singlebond_stretch/test_F_SiH3.mmp
blob: b9411eac7289f78a0609e375e0b2e4d082215913 (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
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) (5.040725) (-0.353000, -0.000000, 0.005500) (1.000000)
egroup (View Data)
group (F_SiH3_c3v)
info opengroup open = True
mol (F_SiH3_c3v.pdb) def
atom 1 (14) (-339, 230, -57) def
atom 2 (9) (-120, -205, 1376) def
bond1 1
atom 3 (1) (-700, 1415, -1064) def
bond1 1
atom 4 (1) (-608, -863, -822) def
bond1 1
atom 5 (1) (1683, -86, -721) def
bond1 1
egroup (F_SiH3_c3v)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part F_SiH3_c3v