DISTANCE

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

Subsections

POINT

Keywords

ATOMS
AXIS
SIGN

Keyword descriptions

ATOMS

Type: integer[2]
Aliases: POINTS
Usage: ATOMS {integer} {integer}

Description: Specifies the indexes of atoms/points defining the distance.

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AXIS

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

Description: Define the axes along which the colvar should be evaluated

Valid values:

XYZ
X
Y
Z
XY
XZ
YZ

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SIGN

Type: logical
Default: F
Lone keyword: T
Usage: SIGN

Description: Whether the distance along one Cartesian axis has to be considered with sign. This option is valid if only one dimension is selected.

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