The no-headache route is: mv confout.gro conf.gro grompp mdrun trjcat -f *.trr -o fixed.trr
On Mon, Jul 13, 2015 at 6:45 PM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi, > > What did the .log file report about your attempt to append? > > Mark > > On Mon, Jul 13, 2015 at 11:18 PM Andrea Spinelli <spinell...@gmail.com> > wrote: > >> Hi, >> I’m new user of Gromacs and I need extend a simulation of 1000ps. >> On Gromacs 5.0.5 I use this command line as tutorial said. >> >> gmx convert-tpr -s md_0_1.tpr -extend 1000 -o md_0_2.tpr >> gmx mdrun -v -s md_0_2.tpr -cpi md_0_1.cpt -append >> >> It produced the md_0_2.tpr , but when I run rms command to watch the state >> of RMSD, it show only first 1000 ps, not from 0 to 2000 ps. Why? >> What is the command I have to use? >> >> to view rmds I use this command line: >> gmx rms -s md_0_2.tpr -f md_0_1.xtc -o rmsd.xvg >> >> Thanks a lot. >> >> >> Andrea Spinelli >> >> Please do not print this email unless really need to. >> Save paper, save trees, save space, save money - life matters. >> >> -- >> 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. -- 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.
