MOL_DISPLACEMENTS

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

Keywords

• RMANGLE

• RMBOND

• RMDIHEDRAL

• RMROT

• RMTRANS

Keyword descriptions

RMANGLE: real

Usage: RMANGLE {real} {real} …

Maximum bond angle displacement, in degrees, for each molecule type. [Edit on GitHub]

RMBOND: real

Usage: RMBOND {real} {real} …

Maximum bond length displacement, in angstroms, for each molecule type. [Edit on GitHub]

RMDIHEDRAL: real

Usage: RMDIHEDRAL {real} {real} …

Maximum dihedral angle distplacement, in degrees, for each molecule type. [Edit on GitHub]

RMROT: real

Usage: RMROT {real} {real} …

Maximum rotational displacement, in degrees, for each molecule type. [Edit on GitHub]

RMTRANS: real

Usage: RMTRANS {real} {real} …

Maximum translational displacement, in angstroms, for each molecule type. [Edit on GitHub]