- type
- {{ task.type }}
+ type
+ {{ task.type }}
- force field
- {{ task.unres_ff }}
+ force field
+ {{ task.unres_ff }}
- sequence
- {{ task.md_seq}}
+ sequence
+ {{ task.md_seq}}
- SSBOND
- {{ task.ssbond}}
+ secondary structure
+ restraints
+ {{ task.md_2d}}
+
+
+
+
+ SSBOND
+ {{ task.ssbond}}
@@ -86,117 +93,117 @@ Created {{ task.created_date }}
- algorithm
- {{ task.min_choice }}
+ algorithm
+ {{ task.min_choice }}
- overlap
- {{ task.min_overlap }}
+ overlap
+ {{ task.min_overlap }}
- searchsc
- {{ task.min_searchsc }}
+ searchsc
+ {{ task.min_searchsc }}
- maxmin
- {{ task.min_maxmin }}
+ maxmin
+ {{ task.min_maxmin }}
- maxfun
- {{ task.min_maxfun }}
+ maxfun
+ {{ task.min_maxfun }}
- pdbout
- {{ task.min_pdbout }}
+ pdbout
+ {{ task.min_pdbout }}
- input pdb
- {{ task.myfile1 }}
+ input pdb
+ {{ task.myfile1 }}
- pdb code
- {{ task.pdbcode }}
+ pdb code
+ {{ task.pdbcode }}
- unres_pdb
- {{ task.min_unres_pdb }}
+ unres_pdb
+ {{ task.min_unres_pdb }}
{% endif %}
{% if task.type == "md" %}
- starting
- {{ task.md_start}}
+ starting
+ {{ task.md_start}}
- input pdb
- {{ task.myfile1 }}
+ input pdb
+ {{ task.myfile1 }}
- pdb code
- {{ task.pdbcode }}
+ pdb code
+ {{ task.pdbcode }}
- seed
- {{ task.md_seed}}
+ seed
+ {{ task.md_seed}}
- pdbref
- {{ task.md_pdbref}}
+ pdbref
+ {{ task.md_pdbref}}
- respa
- {{ task.md_respa}}
+ respa
+ {{ task.md_respa}}
- temperature
- {{ task.md_temp}}
+ temperature
+ {{ task.md_temp}}
- nstep
- {{ task.md_nstep}}
+ nstep
+ {{ task.md_nstep}}
- ntwe
- {{ task.md_ntwe}}
+ ntwe
+ {{ task.md_ntwe}}
- ntwx
- {{ task.md_ntwx}}
+ ntwx
+ {{ task.md_ntwx}}
- dt
- {{ task.md_dt}}
+ dt
+ {{ task.md_dt}}
- thermostat
- {{ task.md_lang}}
+ thermostat
+ {{ task.md_lang}}
{% if task.md_lang == "berendsen" %}
- tau
- {{ task.md_tau}}
+ tau
+ {{ task.md_tau}}
{% else %}
- scal_fric
- {{ task.md_scal_fric}}
+ scal_fric
+ {{ task.md_scal_fric}}
{% endif %}
- mdpdb
- {{ task.md_mdpdb}}
+ mdpdb
+ {{ task.md_mdpdb}}
- RESPA
- {{ task.md_respa}}
+ RESPA
+ {{ task.md_respa}}
@@ -205,115 +212,115 @@ Created {{ task.created_date }}
{% if task.type == "remd" %}
- nrep
- {{ task.remd_nrep}}
+ nrep
+ {{ task.remd_nrep}}
- starting
- {{ task.md_start}}
+ starting
+ {{ task.md_start}}
- input pdb
- {{ task.myfile1 }}
+ input pdb
+ {{ task.myfile1 }}
- pdb code
- {{ task.pdbcode }}
+ pdb code
+ {{ task.pdbcode }}
- seed
- {{ task.md_seed}}
+ seed
+ {{ task.md_seed}}
- pdbref
- {{ task.md_pdbref}}
+ pdbref
+ {{ task.md_pdbref}}
- respa
- {{ task.md_respa}}
+ respa
+ {{ task.md_respa}}
- nstep
- {{ task.md_nstep}}
+ nstep
+ {{ task.md_nstep}}
- ntwe
- {{ task.md_ntwe}}
+ ntwe
+ {{ task.md_ntwe}}
- nstex
- {{ task.remd_nstex}}
+ nstex
+ {{ task.remd_nstex}}
- ntwx
- {{ task.md_ntwx}}
+ ntwx
+ {{ task.md_ntwx}}
- dt
- {{ task.md_dt}}
+ dt
+ {{ task.md_dt}}
- thermostat
- {{ task.md_lang}}
+ thermostat
+ {{ task.md_lang}}
{% if task.md_lang == "berendsen" %}
- tau
- {{ task.md_tau}}
+ tau
+ {{ task.md_tau}}
{% else %}
- scal_fric
- {{ task.md_scal_fric}}
+ scal_fric
+ {{ task.md_scal_fric}}
{% endif %}
- RESPA
- {{ task.md_respa}}
+ RESPA
+ {{ task.md_respa}}
- temperatures
- {{ task.remd_multi_t}}
+ temperatures
+ {{ task.remd_multi_t}}
- multiplex
- {{ task.remd_multi_m}}
+ multiplex
+ {{ task.remd_multi_m}}
- temperature for clustering
- {{ task.remd_cluter_temp}}
+ temperature for clustering
+ {{ task.remd_cluter_temp}}
{% if task.saxs_data != "" %}
- wsaxs
- {{ task.wsaxs }}
+ wsaxs
+ {{ task.wsaxs }}
- scal_rad (saxs)
- {{ task.scal_rad }}
+ scal_rad (saxs)
+ {{ task.scal_rad }}
- saxs distribution
-
+ saxs distribution
+
{% endif %}
{% endif %}
- Box X Y Z
- {{ task.boxx}}
- {{ task.boxy}}
- {{ task.boxz}}
+ Box X Y Z
+ {{ task.boxx}}
+ {{ task.boxy}}
+ {{ task.boxz}}