Thank you Justin, "trjconv -pbc mol -center" is exactly what I needed.
One problem though, I visualize with vmd so I use the initial .gro file for coordinates and .xtc files for trajectories. The problem is the initial .gro files are not centred/whole. How would I get the initial coordinates centred/whole as well? Thank you! -- 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 [email protected].
