MOL_DISPLACEMENTS

Maximum displacements for every move type that requires a value for each molecular type in the simulation. [Edit on GitHub]

Keywords

RMANGLE

Type: real[ ]
Usage: RMANGLE {real} {real} …

Description: Maximum bond angle displacement, in degrees, for each molecule type.

RMBOND

Type: real[ ]
Usage: RMBOND {real} {real} …

Description: Maximum bond length displacement, in angstroms, for each molecule type.

RMDIHEDRAL

Type: real[ ]
Usage: RMDIHEDRAL {real} {real} …

Description: Maximum dihedral angle distplacement, in degrees, for each molecule type.

RMROT

Type: real[ ]
Usage: RMROT {real} {real} …

Description: Maximum rotational displacement, in degrees, for each molecule type.

RMTRANS

Type: real[ ]
Usage: RMTRANS {real} {real} …

Description: Maximum translational displacement, in angstroms, for each molecule type.