Keywords

Summary of all keywords

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