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<cg>
<!-- example for a non-bonded interaction entry -->
<non-bonded>
<!-- name of the interaction -->
<name>CG-CG</name>
<!-- types involved in this interaction -->
<type1>CG</type1>
<type2>CG</type2>
<!-- dimension + grid spacing of tables for calculations -->
<min>0.0</min>
<max>0.9</max>
<step>0.01</step>
<inverse>
<!-- target distribution (rdf) -->
<target>CG-CG.dist.tgt</target>
</inverse>
</non-bonded>
<!-- general options for inverse script -->
<inverse>
<!-- 300*0.00831451 kJ/mol in dlpoly units, see FIELD -->
<kBT>2.49435</kBT>
<!-- use dlpoly as simulation program -->
<program>dlpoly</program>
<!-- dlpoly specific options -->
<dlpoly>
<!--<table_grid>900</table_grid>-->
<table_end>0.9</table_end>
</dlpoly>
<initial_configuration>maindir</initial_configuration>
<!-- these files are copied for each new run -->
<filelist>CONFIG CONTROL FIELD</filelist>
<!-- do so many iterations -->
<iterations_max>300</iterations_max>
<!-- ibi: inverse boltzmann imc: inverse monte carlo -->
<method>ibi</method>
</inverse>
</cg>
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