1<cg>
2 <non-bonded>
3  <name>A-A</name>
4  <type1>A</type1>
5  <type2>A</type2>
6  <min>0</min>
7  <max>1.4</max>
8  <step>0.01</step>
9  <inverse>
10   <target>A-A.dist.tgt</target>
11   <do_potential>0</do_potential>
12   <post_update>cibi</post_update>
13   <post_update_options>
14     <cibi>
15       <do>1</do>
16     </cibi>
17   </post_update_options>
18   <post_add>acc_convergence</post_add>
19   <post_add_options>
20     <convergence>
21       <weight>1</weight>
22       <what>dist</what>
23     </convergence>
24   </post_add_options>
25   <gromacs>
26    <table>table_A_A.xvg</table>
27   </gromacs>
28  </inverse>
29 </non-bonded>
30
31 <non-bonded>
32  <name>B-B</name>
33  <type1>B</type1>
34  <type2>B</type2>
35  <min>0</min>
36  <max>1.4</max>
37  <step>0.01</step>
38
39  <inverse>
40   <target>B-B.dist.tgt</target>
41   <do_potential>0</do_potential>
42   <post_update>cibi</post_update>
43   <post_update_options>
44     <cibi>
45       <do>1</do>
46     </cibi>
47   </post_update_options>
48   <post_add>acc_convergence</post_add>
49   <post_add_options>
50     <convergence>
51       <weight>1</weight>
52       <what>dist</what>
53     </convergence>
54   </post_add_options>
55   <gromacs>
56    <table>table_B_B.xvg</table>
57   </gromacs>
58  </inverse>
59 </non-bonded>
60
61 <non-bonded>
62  <name>A-B</name>
63  <type1>A</type1>
64  <type2>B</type2>
65  <min>0</min>
66  <max>1.4</max>
67  <step>0.01</step>
68  <inverse>
69   <target>A-B.dist.tgt</target>
70   <do_potential>0</do_potential>
71   <post_update>cibi</post_update>
72   <post_update_options>
73     <cibi>
74       <do>1</do>
75     </cibi>
76   </post_update_options>
77   <post_add>acc_convergence</post_add>
78   <post_add_options>
79     <convergence>
80       <weight>1</weight>
81       <what>dist</what>
82     </convergence>
83   </post_add_options>
84   <gromacs>
85    <table>table_A_B.xvg</table>
86   </gromacs>
87  </inverse>
88 </non-bonded>
89
90
91 <inverse>
92  <kBT>2.49435300</kBT>
93  <initial_configuration>maindir</initial_configuration>
94  <program>gromacs</program>
95  <gromacs>
96    <equi_time>0</equi_time>
97    <table_bins>0.002</table_bins>
98    <pot_max>1000000</pot_max>
99    <table_end>5.0</table_end>
100  </gromacs>
101  <filelist>grompp.mdp topol.top table.xvg index.ndx</filelist>
102  <iterations_max>150</iterations_max>
103  <cleanlist>traj.xtc</cleanlist>
104  <method>ibi</method>
105 </inverse>
106</cg>
107