gromacs-data 4.5.5-2 / usr / share / gromacs / top / amber99sb.ff / ions.itp

This file is indexed.

/usr/share/gromacs/top/amber99sb.ff/ions.itp is in gromacs-data 4.5.5-2.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

 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
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
[ moleculetype ]
; molname       nrexcl
IB+             1       ; big positive ion

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       IB              1       IB+             IB       1      1.00000


[ moleculetype ]
; molname       nrexcl
CA              1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       C0              1       CA              CA       1      2.00000


[ moleculetype ]
; molname       nrexcl
CL              1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       Cl              1       CL              CL       1      -1.00000


[ moleculetype ]
; molname       nrexcl
NA              1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       Na              1       NA              NA       1      1.00000


[ moleculetype ]
; molname       nrexcl
MG              1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       MG              1       MG              MG       1      2.00000


[ moleculetype ]
; molname       nrexcl
K               1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       K               1       K               K        1      1.00000


[ moleculetype ]
; molname       nrexcl
RB              1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       Rb              1       RB              RB       1      1.00000


[ moleculetype ]
; molname       nrexcl
CS              1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       Cs              1       CS              CS       1      1.00000


[ moleculetype ]
; molname       nrexcl
LI              1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       Li              1       LI              LI       1      1.00000


[ moleculetype ]
; molname       nrexcl
ZN              1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge
1       Zn              1       ZN              ZN       1      2.00000

APT Browse - Built by Thomas Orozco.