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path: root/sim/src/tests/singlebond_stretch/test_H2N_AlH2.mmp
blob: bb31a21bf25a2b458b40f6233aae885d60615d57 (plain)
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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) (4.977417) (0.188000, 0.001500, -0.000000) (1.000000)
egroup (View Data)
group (H2N_AlH2_cs)
info opengroup open = True
mol (H2N_AlH2_cs.pdb) def
atom 1 (7) (-1629, -230, 95) def
info atom atomtype = sp2
atom 2 (13) (911, 79, 278) def
bond1 1
atom 3 (1) (-1398, -126, -328) def
bond1 1
atom 4 (1) (-1850, -365, 823) def
bond1 1
atom 5 (1) (1428, 376, 1309) def
bond1 2
atom 6 (1) (2058, 113, -1512) def
bond1 2
egroup (H2N_AlH2_cs)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part H2N_AlH2_cs