Miguel Caro: 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 `md_nsteps`. It is technically an opti..."

2021-07-18T11:05:49Z

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..."

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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 optional keyword but we strongly recommend to set it explicitly.

=== Summary ===

{| class="wikitable"
|+ Summary for <code>md_step</code> keyword
! style="text-align:left;"| Required/optional
! style="text-align:left;"| Type
! style="text-align:left;"| Accepted values
! style="text-align:left;"| Default
! style="text-align:left;"| See also
|-
| Optional for MD
| Real
| Any positive real
| 1.
| [[Molecular dynamics]], <code>[[md_nsteps]]</code>
|}

=== Example ===

md_step = 1.

Md step - Revision history

Miguel Caro: 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 md_nsteps. It is technically an opti..."

Miguel Caro: 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 `md_nsteps`. It is technically an opti..."