Dear gmx users, I want to calculate the center of mass of each molecule in the system all through the simulation time.
When I used "g_traj -f traj.xtc -s topol.tpr -n index.ndx -ox coord.xvg -com'' command, I obtained the center of mass of the system I tried some ways to get the mass center of each molecule but I was not able to successful find it. Similarly I need the inertia axis of each molecule all through the simulation time but again I found the average values at each step. Could you please tell me how I can easily do these calculations by Gromacs utility? Thanks in advance, Akn. -- View this message in context: http://gromacs.5086.n6.nabble.com/mass-center-of-each-molecule-tp4999661.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
