MASS_VECTOR

This is part of the colvar module

Get the mass of one or multiple atoms

Examples

Glossary of keywords and components

The atoms involved can be specified using

ATOM	the atom number. For more information on how to specify lists of atoms see Groups and Virtual Atoms
ATOMS	the atom numbers that you would like to store the masses and charges of. 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