This is part of the colvar module

Calculate an angle.

Examples

Glossary of keywords and components

The atoms involved can be specified using

ATOMS

the list of atoms involved in this collective variable (either 3 or 4 atoms). For more information on how to specify lists of atoms see Groups and Virtual Atoms

Options

NUMERICAL_DERIVATIVES

( default=off ) calculate the derivatives for these quantities numerically

NOPBC

( default=off ) ignore the periodic boundary conditions when calculating distances