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
|
<cg_molecule>
<name>HEX</name>
<ident>Protein</ident>
<topology>
<cg_beads>
<cg_bead>
<name>A1</name>
<type>A</type>
<mapping>A</mapping>
<beads>1:CHL:C 2:CH2:C 1:CHL:H1 1:CHL:H2 1:CHL:H3 2:CH2:H1 2:CH2:H2</beads>
</cg_bead>
<cg_bead>
<name>B</name>
<type>B</type>
<mapping>B</mapping>
<beads>3:CH2:C 4:CH2:C 3:CH2:H1 3:CH2:H2 4:CH2:H1 4:CH2:H2</beads>
</cg_bead>
<cg_bead>
<name>A2</name>
<type>A</type>
<mapping>A</mapping>
<beads>6:CHR:C 5:CH2:C 6:CHR:H1 6:CHR:H2 6:CHR:H3 5:CH2:H1 5:CH2:H2</beads>
</cg_bead>
</cg_beads>
<cg_bonded>
<bond>
<name>bond</name>
<beads>
A1 B
A2 B
</beads>
</bond>
<angle>
<name>angle</name>
<beads>
A1 B A2
</beads>
</angle>
</cg_bonded>
</topology>
<maps>
<map>
<name>A</name>
<weights> 12 12 1 1 1 1 1</weights>
</map>
<map>
<name>B</name>
<weights> 12 12 1 1 1 1 </weights>
</map>
</maps>
</cg_molecule>
|
