Dear gmx-users, I have several simulations regarding atoms flowing between two gold surfaces. The flow of the liquid molecules show a distinct Poiseuille flow, which was expected. I am now interested in extracting the velocities of these liquid molecules (total of around 30000 atoms, around 700 molecules).
I am interested in the (average) velocity, as a function of the height Z. Is this possible in any way? If I take for example the command gmx traj ... -av, I will get the average velocity of all atoms, however I cannot tell which atom is placed where. Furthermore, is it possible to get the average velocities per molecule instead of atoms, for instance via gmx traj? Thanks in advance. Mark -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
