summaryrefslogtreecommitdiff
path: root/sim/src/tests/singlebond_stretch/test_F_NH2.mmp
blob: 0ea4f438553d4d64343d0870b64bbb5374057133 (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
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) (4.258376) (0.161000, 0.216500, -0.000000) (1.000000)
egroup (View Data)
group (F_NH2_cs)
info opengroup open = True
mol (F_NH2_cs.pdb) def
atom 1 (7) (-1097, -246, -37) def
atom 2 (9) (1092, -4, 378) def
bond1 1
atom 3 (1) (-792, -656, -1106) def
bond1 1
atom 4 (1) (-1285, -746, 459) def
bond1 1
egroup (F_NH2_cs)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part F_NH2_cs