batter.config.simulation.SimulationConfig
=========================================

.. currentmodule:: batter.config.simulation

.. autoclass:: SimulationConfig

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~SimulationConfig.__init__
      ~SimulationConfig.construct
      ~SimulationConfig.copy
      ~SimulationConfig.dict
      ~SimulationConfig.from_orm
      ~SimulationConfig.from_sections
      ~SimulationConfig.json
      ~SimulationConfig.model_construct
      ~SimulationConfig.model_copy
      ~SimulationConfig.model_dump
      ~SimulationConfig.model_dump_json
      ~SimulationConfig.model_json_schema
      ~SimulationConfig.model_parametrized_name
      ~SimulationConfig.model_post_init
      ~SimulationConfig.model_rebuild
      ~SimulationConfig.model_validate
      ~SimulationConfig.model_validate_json
      ~SimulationConfig.model_validate_strings
      ~SimulationConfig.parse_file
      ~SimulationConfig.parse_obj
      ~SimulationConfig.parse_raw
      ~SimulationConfig.schema
      ~SimulationConfig.schema_json
      ~SimulationConfig.to_dict
      ~SimulationConfig.update_forward_refs
      ~SimulationConfig.validate
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~SimulationConfig.model_computed_fields
      ~SimulationConfig.model_config
      ~SimulationConfig.model_extra
      ~SimulationConfig.model_fields
      ~SimulationConfig.model_fields_set
      ~SimulationConfig.system_name
      ~SimulationConfig.fe_type
      ~SimulationConfig.dec_int
      ~SimulationConfig.remd
      ~SimulationConfig.remd_nstlim
      ~SimulationConfig.slurm_header_dir
      ~SimulationConfig.infe
      ~SimulationConfig.p1
      ~SimulationConfig.p2
      ~SimulationConfig.p3
      ~SimulationConfig.other_mol
      ~SimulationConfig.lipid_mol
      ~SimulationConfig.solv_shell
      ~SimulationConfig.rocklin_correction
      ~SimulationConfig.release_eq
      ~SimulationConfig.ti_points
      ~SimulationConfig.lambdas
      ~SimulationConfig.component_windows
      ~SimulationConfig.sdr_dist
      ~SimulationConfig.dec_method
      ~SimulationConfig.blocks
      ~SimulationConfig.unbound_threshold
      ~SimulationConfig.analysis_start_step
      ~SimulationConfig.n_bootstraps
      ~SimulationConfig.lig_distance_force
      ~SimulationConfig.lig_angle_force
      ~SimulationConfig.lig_dihcf_force
      ~SimulationConfig.rec_com_force
      ~SimulationConfig.lig_com_force
      ~SimulationConfig.water_model
      ~SimulationConfig.buffer_x
      ~SimulationConfig.buffer_y
      ~SimulationConfig.buffer_z
      ~SimulationConfig.lig_buffer
      ~SimulationConfig.neutralize_only
      ~SimulationConfig.cation
      ~SimulationConfig.anion
      ~SimulationConfig.ion_conc
      ~SimulationConfig.hmr
      ~SimulationConfig.enable_mcwat
      ~SimulationConfig.temperature
      ~SimulationConfig.eq_steps
      ~SimulationConfig.n_steps_dict
      ~SimulationConfig.l1_x
      ~SimulationConfig.l1_y
      ~SimulationConfig.l1_z
      ~SimulationConfig.l1_range
      ~SimulationConfig.min_adis
      ~SimulationConfig.max_adis
      ~SimulationConfig.ntpr
      ~SimulationConfig.ntwr
      ~SimulationConfig.ntwe
      ~SimulationConfig.ntwx
      ~SimulationConfig.cut
      ~SimulationConfig.gamma_ln
      ~SimulationConfig.barostat
      ~SimulationConfig.dt
      ~SimulationConfig.all_atoms
      ~SimulationConfig.receptor_ff
      ~SimulationConfig.ligand_ff
      ~SimulationConfig.lipid_ff
      ~SimulationConfig.ligand_dict
      ~SimulationConfig.rng
      ~SimulationConfig.ion_def
      ~SimulationConfig.dic_n_steps
      ~SimulationConfig.rest
      ~SimulationConfig.neut
      ~SimulationConfig.protein_align
      ~SimulationConfig.receptor_segment
      ~SimulationConfig.components
      ~SimulationConfig.component_lambdas
      ~SimulationConfig.membrane_simulation