Difference between revisions of "Format"
From DoSPT
Miguel Caro (talk | contribs) (Created page with "The <code>format</code> '''keyword''' determines the extension and format of the trajectory file to be read by DoSPT. === Summary === {| class="wikitable" |+ Summary for...") |
Miguel Caro (talk | contribs) m |
||
| (One intermediate revision by the same user not shown) | |||
| Line 1: | Line 1: | ||
| − | The <code>format</code> ''' | + | The <code>format</code> keyword is a '''required''' keyword in the <code>[[input]]</code> file. It determines the extension and format of the [[trajectory file]] to be read by DoSPT. |
=== Summary === | === Summary === | ||
| Line 8: | Line 8: | ||
! style="text-align:left;"| Type | ! style="text-align:left;"| Type | ||
! style="text-align:left;"| Accepted values | ! style="text-align:left;"| Accepted values | ||
| + | ! style="text-align:left;"| Default | ||
! style="text-align:left;"| See also | ! style="text-align:left;"| See also | ||
|- | |- | ||
| Line 13: | Line 14: | ||
| String | | String | ||
| <code>[[traj.gro|gro]]</code>, <code>[[traj.xyz|xyz]]</code> | | <code>[[traj.gro|gro]]</code>, <code>[[traj.xyz|xyz]]</code> | ||
| + | | n/a | ||
| [[Input file]], [[trajectory file]] | | [[Input file]], [[trajectory file]] | ||
|} | |} | ||
Latest revision as of 14:03, 20 July 2017
The format keyword is a required keyword in the input file. It determines the extension and format of the trajectory file to be read by DoSPT.
Summary
| Required/optional | Type | Accepted values | Default | See also |
|---|---|---|---|---|
| Required | String | gro, xyz
|
n/a | Input file, trajectory file |
Accepted values
| Value | Description | See also |
|---|---|---|
gro
|
Selects Gromacs format and file extension for trajectory file. | See sample traj.gro for details. |
xyz
|
Selects XYZ format and file extension for trajectory file. | See sample traj.xyz for details. |
Example
format = gro
