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: real

Usage: COLLECTIVE {real} .. {real}

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: string

Usage: COORD_FILE_NAME

Name of the xyz file with coordinates (alternative to &COORD section) [Edit on GitHub]