[gmx-users] gmx trjcat
Dear all, I want to concatenate some gro file to have a trr or xtc trajectory file out of them as gro files are also acceptable as input files, according the gmx trjcat man page; Options to specify input files: -f [<.xtc/.trr/...> [...]] (traj.xtc) Trajectory: xtc trr cpt *gro* g96 pdb tng So, I fed the .gro files in as input files likes; gmx trjcat -f c*.gro -o trajout.trr However, I get below error that; Fatal error: gmx trjcat can only handle binary trajectory formats (trr, xtc, tng) Any comment is highly appreciated. Regards, Alex -- 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.
Re: [gmx-users] gmx trjcat
See options with gmx trjcat -h On Thu, Feb 23, 2017 at 8:49 AM, YanhuaOuyang <15901283...@163.com> wrote: > Hi, > I have a long trajectory , which is broken into 2 part because of > disk space : traj 1 is 0ns-213ns, the other traj 2 is 200ns-300ns. How to > concatenate this two trajectory into one single file trj 3(0ns-300ns) with > trjcat since they have overlapping times(200ns-214ns)? how can I keep one > of the overlapping time appropriately? > > Best regards, > Ouyang. > -- > 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. > -- 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.
[gmx-users] gmx trjcat
Hi, I have a long trajectory , which is broken into 2 part because of disk space : traj 1 is 0ns-213ns, the other traj 2 is 200ns-300ns. How to concatenate this two trajectory into one single file trj 3(0ns-300ns) with trjcat since they have overlapping times(200ns-214ns)? how can I keep one of the overlapping time appropriately? Best regards, Ouyang. -- 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.
