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Category mdb_dynamics

Category Description

              Data items in the MDB_DYNAMICS category store information about 
               the application of molecular dynamics simulations for each step.




Key Category Items

• _mdb_dynamics.step_id



Items in Category mdb_dynamics

Item Name	Mandatory Code
_mdb_dynamics.boundary_cond_details	no
_mdb_dynamics.boundary_cond_x	no
_mdb_dynamics.boundary_cond_y	no
_mdb_dynamics.boundary_cond_z	no
_mdb_dynamics.charge	no
_mdb_dynamics.constr	no
_mdb_dynamics.constr_func	no
_mdb_dynamics.entity_id	no
_mdb_dynamics.ff_id	no
_mdb_dynamics.method	yes
_mdb_dynamics.mod_id	yes
_mdb_dynamics.seg_id	yes
_mdb_dynamics.simulation_time	no
_mdb_dynamics.solv_flag	no
_mdb_dynamics.solv_id	no
_mdb_dynamics.step_id	yes
_mdb_dynamics.suppl_data	no
_mdb_dynamics.temp_control	no
_mdb_dynamics.temp_start	no
_mdb_dynamics.temp_stop	no
_mdb_dynamics.time_step	no

 

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