Section to define the distance as a collective variables. [Edit on GitHub]



Keyword descriptions

ATOMS: integer[2]

Aliases: POINTS

Usage: ATOMS {integer} {integer}

Specifies the indexes of atoms/points defining the distance. [Edit on GitHub]

AXIS: enum = XYZ

Usage: AXIS (XYZ | X | Y | Z | XY| XZ | YZ)

Valid values:

  • XYZ

  • X

  • Y

  • Z

  • XY

  • XZ

  • YZ

Define the axes along which the colvar should be evaluated [Edit on GitHub]

SIGN: logical = F

Lone keyword: T

Usage: SIGN

Whether the distance along one Cartesian axis has to be considered with sign. This option is valid if only one dimension is selected. [Edit on GitHub]