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HEAD
Removed refs to charmm files in share/top/Makefile.am
[gromacs/qmmm-gamess-us.git]
/
share
/
top
/
ffG53a6-c.tdb
blob
f9643e7ee63c27cb50402d8f390635bf1087af9a
1
[ None ]
2
3
[ COO- ]
4
[ replace ]
5
C C 12.011 0.27
6
[ add ]
7
2 8 O C CA N
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OM 15.9994 -0.635
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[ delete ]
10
O
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[ bonds ]
12
C O1 gb_6
13
C O2 gb_6
14
[ angles ]
15
O1 C O2 ga_38
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CA C O1 ga_22
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CA C O2 ga_22
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[ dihedrals ]
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N CA C O2 gd_40
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[ impropers ]
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C CA O2 O1 gi_1
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[ COOH ]
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[ replace ]
25
C C 12.011 0.33
26
O OA 15.9994 -0.288
27
[ add ]
28
1 2 OT C CA N
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O 15.9994 -0.45
30
1 2 HO O C CA
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H 1.008 0.408
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[ bonds ]
33
C O gb_13
34
C OT gb_5
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O HO gb_1
36
[ angles ]
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O C OT ga_33
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C O HO ga_12
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CA C O ga_19
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CA C OT ga_30
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[ dihedrals ]
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N CA C O gd_40
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CA C O HO gd_12
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[ impropers ]
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C CA OT O gi_1
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