This is part of the colvar module |
Calculate the volume of the simulation box.
The following input tells plumed to print the volume of the system
vol: VOLUME PRINTARG=volcompulsory keyword the labels of the values that you would like to print to the file
By default the value of the calculated quantity can be referenced elsewhere in the input file by using the label of the action. Alternatively this Action can be used to calculate the following quantities by employing the keywords listed below. These quantities can be referenced elsewhere in the input by using this Action's label followed by a dot and the name of the quantity required from the list below.
Quantity | Description |
.#!value | the volume of simulation box |
NUMERICAL_DERIVATIVES | ( default=off ) calculate the derivatives for these quantities numerically |