Md nsteps

Number of molecular dynamics steps to run. The total duration of the MD run is this number times md_step. It is technically an optional keyword but we strongly recommend to set it explicitly (you usually want to run more than the default of 1 step!).

Summary

Summary for md_nsteps keyword

Required/optional	Type	Accepted values	Default	See also
Optional for MD	Integer	Any positive integer	1	Molecular dynamics, md_step

Example

md_nsteps = 10000