Action: MASS
| Module | colvar |
|---|---|
| Description | Usage |
| Get the mass of one or multiple atoms |   |
| output value | type |
| the MASS of the atom | scalar/vector |
Input
The atoms that serve as the input for this action are specified using one or more of the keywords in the following table.
| Keyword | Type | Description |
|---|---|---|
| ATOM | atoms | the atom number |
| ATOMS | atoms | the atom numbers that you would like to store the masses and charges of |
Further details and examples
Text from manual goes here
Syntax
The following table describes the keywords and options that can be used with this action
| Keyword | Type | Default | Description |
|---|---|---|---|
| ATOM | input | none | the atom number |
| ATOMS | input | none | the atom numbers that you would like to store the masses and charges of |
| NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |
| NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |