Keywords¶
Summary of all keywords¶
Engine GFNFF¶
Accuracy- Type
Float
- Default value
1.0
- Description
Expert option: GFNFF accuracy parameter. Several thresholds within GFNFF depend on this accuracy parameter. Must be a positive number. Smaller values of Accuracy will result in larger distance thresholds.
ForceFieldFile- Type
String
- Default value
- GUI name
GFNFF parameter file
- Description
Path to a GFNFF parameter file
Type- Type
Multiple Choice
- Default value
AngewChem2020_2
- Options
[AngewChem2020, AngewChem2020_1, AngewChem2020_2, FromFile]
- Description
Type of GFNFF to be used