Commit 4108c51d authored by Fabrice Allain's avatar Fabrice Allain
Browse files

Update hbdb potential tag

parent 68975270
......@@ -115,6 +115,7 @@ logharmonic_potential_weight_unambig: 25.0
logharmonic_potential_weight_ambig: 10.0
logharmonic_potential_weight_hbond: 25.0
rama_potential_enabled: no
hbdb_potential_enabled: no
md_parameters_random_seed: 89764443
md_parameters_steps_high: 10000
md_parameters_steps_cool1: 5000
......
......@@ -33,6 +33,7 @@
<symmetry_restraints k_packing_hot="15.0" k_packing_cool1="10.0" k_packing_cool2="5.0" last_iteration_packing="8" k_ncs="50.0"/>
<logharmonic_potential enabled="${logharmonic_potential_enabled}" use_auto_weight="${logharmonic_potential_use_auto_weight}" weight_unambig="${logharmonic_potential_weight_unambig}" weight_ambig="${logharmonic_potential_weight_ambig}" weight_hbond="${logharmonic_potential_weight_hbond}"/>
<rama_potential enabled="${rama_potential_enabled}" weight_rama="1.0"/>
<hbdb_potential enabled="${hbdb_potential_enabled}"/>
</annealing_parameters>
<md_parameters dynamics="torsion" random_seed="${md_parameters_random_seed}" tad_temp_high="10000.0" tad_timestep_factor="9.0" cartesian_temp_high="2000.0" cartesian_first_iteration="0" timestep="0.003" temp_cool1_final="1000.0" temp_cool2_final="50.0" steps_high="${md_parameters_steps_high}" steps_refine="4000" steps_cool1="${md_parameters_steps_cool1}" steps_cool2="${md_parameters_steps_cool2}"/>
</cns>
......
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