Md step
Revision as of 11:05, 18 July 2021 by Miguel Caro (talk | contribs) (Created page with "Duration/size of each time step in a molecular dynamics run, in fs. The total duration of the MD run is this number times <code>md_nsteps</code>. It is technically an opti...")
Duration/size of each time step in a molecular dynamics run, in fs. The total duration of the MD run is this number times md_nsteps. It is technically an optional keyword but we strongly recommend to set it explicitly.
Summary
| Required/optional | Type | Accepted values | Default | See also |
|---|---|---|---|---|
| Optional for MD | Real | Any positive real | 1. | Molecular dynamics, md_nsteps
|
Example
md_step = 1.
