Difference between revisions of "Format"

Revision as of 21:17, 19 July 2017

The format keyword determines the extension and format of the trajectory file to be read by DoSPT.

Summary for `format` keyword
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.

format = gro

@@ Line 8: / Line 8: @@
 ! style="text-align:left;"| Type
 ! style="text-align:left;"| Accepted values
+! style="text-align:left;"| Default
 ! style="text-align:left;"| See also
 |-
@@ Line 13: / Line 14: @@
 | String
 | <code>[[traj.gro|gro]]</code>, <code>[[traj.xyz|xyz]]</code>
+| n/a
 | [[Input file]], [[trajectory file]]
 |}