Difference between revisions of "Md nsteps"
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| − | Number of molecular dynamics steps to run. The total duration of the MD run is this number times <code>[[md_step]]</code>. | + | Number of molecular dynamics steps to run. The total duration of the MD run is this number times <code>[[md_step]]</code>. It is technically an optional keyword but we strongly recommend to set it explicitly. |
=== Summary === | === Summary === | ||
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! style="text-align:left;"| See also | ! style="text-align:left;"| See also | ||
|- | |- | ||
| − | | | + | | Optional for MD |
| Integer | | Integer | ||
| Any positive integer | | Any positive integer | ||
| − | | | + | | 1 |
| [[Molecular dynamics]], <code>[[md_step]]</code> | | [[Molecular dynamics]], <code>[[md_step]]</code> | ||
|} | |} | ||
Revision as of 11:06, 18 July 2021
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.
Summary
| Required/optional | Type | Accepted values | Default | See also |
|---|---|---|---|---|
| Optional for MD | Integer | Any positive integer | 1 | Molecular dynamics, md_step
|
Example
md_nsteps = 10000
