[gmx-users] all_force.xvg

[Solomon Berman]

Hello friends,

I'm working on a problem, and a piece of information that I need is the forces that are acting on each atom in the system.  In looking over of the manual, I learned that the utility g_traj is capable of calculating the forces on each particle using the option -af.  I believe option -of calculates the average force on the system versus time.

In looking at the output file all_force.xvg, I'm not clear what each column represents.  Certainly, the first one is the number of the atom, but what of the other three that follow?  I've tried looking through the manual, this board/mailing list, and the internet, to no avail.

I appreciate any assistance/insight that can be offered!  Happy New Year!

Best,

Solomon Berman
Chemistry Department
Boston University