Trjconv will do the same. The .gro format can be abused to contain a trajectory, which can be of length one.
Mark On 23/03/2015 8:32 pm, "Jonathan Saboury" <[email protected]> wrote: > 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]. > -- 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].
