Format
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Revision as of 15:43, 19 July 2017 by 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...")
The format keyword determines the extension and format of the trajectory file to be read by DoSPT.
Summary
| Required/optional | Type | Accepted values | See also |
|---|---|---|---|
| Required | String | gro, xyz
|
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
