ADD_BEND

NAME
ADD_BEND - Add the bending angle between three atoms to the list of the reaction coordinates.

SYNOPSIS
ADD_BEND    iat1    iat2    iat3    w

DESCRIPTION
This command adds to the list of the reaction coordinates of a metadynamics simulation the bending angle between atom iat1, iat2 and iat3. The central atom of the bending is iat2. The numeric order of the atom indices iat1, iat2, iat3 is that specified in the topology file (see 10.3). The repulsive potential terms deposed in the space of the reaction coordinates during the simulation (see 6.3.3) will have a width w (in arc degrees) in the direction of this angle.

EXAMPLES
ADD_BEND 1 7 12 4.0
Add the bending angle between atom 1, atom 7 and atom 12 to the list of the reaction coordinates.