| 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
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