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timestep command

Syntax:

timestep dt 

Examples:

timestep 2.0
timestep 0.003 

Description:

Set the timestep size for subsequent molecular dynamics simulations. See the units command for a discussion of time units. The default value for the timestep also depends on the choice of units for the simulation; see the default values below.

When the run style is respa, dt is the timestep for the outer loop (largest) timestep.

Restrictions: none

Related commands:

fix dt/reset, run, run_style respa, units

Default:

timestep = 0.005 tau for units = lj
timestep = 1.0 fmsec for units = real
timestep = 0.001 psec for units = metal
timestep = 1.0e-8 sec (10 nsec) for units = si or cgs