Interface-related items¶
where
The program can do two things for you. It can calculate the order
parameter for each CH
The electrostatic potential (
where the position
The program gmx traj is a very simple analysis program. All it does is print the coordinates, velocities, or forces of selected atoms. It can also calculate the center of mass of one or more molecules and print the coordinates of the center of mass to three files. By itself, this is probably not a very useful analysis, but having the coordinates of selected molecules or atoms can be very handy for further analysis, not only in interfacial systems.
The program gmx density calculates the mass density of groups and gives a plot of the density against a box axis. This is useful for looking at the distribution of groups or atoms across the interface.