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<cg>
<!-- fmatch section -->
<fmatch>
<!-- use constraint LS solver -->
<constrainedLS>true</constrainedLS>
<!-- Number of frames for block averaging -->
<frames_per_block>5</frames_per_block>
</fmatch>
<bonded>
<!-- name of the interaction -->
<name>bond</name>
<!-- fmatch specific stuff -->
<min>0.0</min>
<max>1.0</max>
<step>0.001</step>
<fmatch>
<min>0.218</min>
<max>0.28</max>
<step>0.005</step>
<out_step>0.001</out_step>
</fmatch>
</bonded>
<bonded>
<!-- name of the interaction -->
<name>angle</name>
<!-- fmatch specific stuff -->
<min>0.0</min>
<max>3.1415</max>
<step>0.01</step>
<fmatch>
<min>1.6</min>
<max>3.14</max>
<step>0.05</step>
<out_step>0.01</out_step>
</fmatch>
</bonded>
<!-- example for a non-bonded interaction entry -->
<non-bonded>
<name>A-A</name>
<type1>A</type1>
<type2>A</type2>
<min>0</min>
<max>2.5</max>
<step>0.01</step>
<fmatch>
<min>0.34</min>
<max>1.0</max>
<step>0.02</step>
<out_step>0.01</out_step>
</fmatch>
</non-bonded>
<non-bonded>
<name>B-B</name>
<type1>B</type1>
<type2>B</type2>
<min>0</min>
<max>2</max>
<step>0.01</step>
<fmatch>
<min>0.34</min>
<max>1.2</max>
<step>0.03</step>
<out_step>0.01</out_step>
</fmatch>
</non-bonded>
<non-bonded>
<name>A-B</name>
<type1>A</type1>
<type2>B</type2>
<min>0</min>
<max>2</max>
<step>0.01</step>
<fmatch>
<min>0.34</min>
<max>1.0</max>
<step>0.02</step>
<out_step>0.01</out_step>
</fmatch>
</non-bonded>
<!-- settings for gromacs .xvg table -->
<inverse>
<gromacs>
<table_bins>0.001</table_bins>
<pot_max>1000000</pot_max>
<table_end>3.0</table_end>
</gromacs>
</inverse>
</cg>
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