General properties#
To analyze some or all energies and other properties, such as total
pressure, pressure tensor, density, box-volume and box-sizes,
use the program gmx energy. A choice can be made from a
list a set of energies, like potential, kinetic or total energy, or
individual contributions, like Lennard-Jones or dihedral energies.
The center-of-mass velocity, defined as
(434)#
with -com -ov
. It is however
recommended to remove the center-of-mass velocity every step (see
chapter Algorithms)!