REPLICA

Section can be repeated.

Specify coordinates and velocities (possibly) of the replica [Edit on GitHub]

Subsections

• COORD
• VELOCITY

Keywords

• COLLECTIVE

• COORD_FILE_NAME

Keyword descriptions

COLLECTIVE

Type: real[ ]
Usage: COLLECTIVE {real} .. {real}

Description: Specifies the value of the collective variables used in the projected BAND method. The order of the values is the order of the COLLECTIVE section in the constraints/restraints section

[Edit on GitHub]

COORD_FILE_NAME

Type: string
Usage: COORD_FILE_NAME

Description: Name of the xyz file with coordinates (alternative to &COORD section)

[Edit on GitHub]