My apologies, this can be achieved easily with the command below: gmx trjconv -s <reference file, optional> -f <input trajectory file> -n <index file, optional> -split <mention the trajectory output frequency or interval (in picoseconds)> -o <desired output prefix>.<output file format>
On Thu, Feb 20, 2020 at 2:15 PM Peter Mawanga <peter.mawanga.la...@gmail.com> wrote: > Hello everyone > > Is it possible to output different frames of a .trr trajectory as single > .gro files without supplying an index (<frame>.ndx) file each time? > > In VMD this can be achieved with: > > set mol [molinfo top] > set sel [atomselect $mol all] > set n [molinfo $mol get numframes] > for {set i 0} {$i < $n} {incr i} { > $sel frame $i > $sel update > $sel writepdb $i.pdb > } > $sel delete > > I am searching for a similar command in Gromacs if feasible where just > supplying the frame number would be fine or a workaround. Thank you for > your assistance. > > -- > Cheers > Peter > -- Cheers Peter -- 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.