No its not needed. gmx convert-tpr will serve the perpose. In -extend option you can specify the extension (50ns/100ns).
On Thu, Feb 23, 2017 at 4:33 PM, RAHUL SURESH <drrahulsur...@gmail.com> wrote: > Okay > > In case I need to extend another 50ns should change mdp? > > > > On Thu, 23 Feb 2017 at 3:21 PM, Tasneem Kausar <tasneemkausa...@gmail.com> > wrote: > > > If you have state.cpt file from the previous simulation, on extending the > > simulation -cpi state.cpt will serve to read the last coordinate of your > > previous simulation. > > Use this command > > gmx mdrun -v -deffnm extend.tpr -cpi state.cpt > > > > On Thu, Feb 23, 2017 at 12:24 PM, RAHUL SURESH <drrahulsur...@gmail.com> > > wrote: > > > > > dear Amir > > > it is mandatory to change the mdp file? > > > > > > And what change should i do in that? > > > > > > On Thu, Feb 23, 2017 at 12:20 PM, Amir Zeb <zebami...@gmail.com> > wrote: > > > > > > > Hello Rahul, > > > > > > > > Just extend the simulation time in mdp file and repeat the same > > commands > > > as > > > > you done for early 100 ns. > > > > > > > > Best! > > > > > > > > On Wed, Feb 22, 2017 at 10:47 PM, RAHUL SURESH < > > drrahulsur...@gmail.com> > > > > wrote: > > > > > > > > > I have a 100ns simulated file.(md.xtc) I need to extend to another > > 100 > > > > ns. > > > > > > > > > > do i need to make any change to mdp file.? > > > > > > > > > > I used the command > > > > > > > > > > > > > > > > > > > > *gmx convert-tpr -s md.xtc -extend 100000 -o extend.tpr* > > > > > > > > > > *gmx mdrun -v -deffnm extend.tpr* > > > > > > > > > > > > > > > -- > > > > > *Regards,* > > > > > *Rahul Suresh* > > > > > *Research Scholar* > > > > > *Bharathiar University* > > > > > *Coimbatore* > > > > > -- > > > > > 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. > > > > > > > > > > > > > > > > -- > > > *Regards,* > > > *Rahul Suresh* > > > *Research Scholar* > > > *Bharathiar University* > > > *Coimbatore* > > > -- > > > 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. > > > -- > *Regards,* > *Rahul Suresh* > *Research Scholar* > *Bharathiar University* > *Coimbatore* > -- > 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.