Use gmxcheck to compare those .tpr files. They should show only the number of steps differ. So for the purposes of g_hbond knowing the topology, the two tpr files are equally useful.
Mark On Fri, May 24, 2013 at 8:25 AM, maggin <[email protected]> wrote: > Hi, I run MD production 10ns, and get file: md_0_1.trr, md_0_1.tpr > > but simulation time is not enough, so I extend the time to 20ns, > tpbconv -s md_0_1.tpr -extend 10000 -o md_0_1_next1.tpr > and get file: traj.trr, md_0_1_next1.tpr > > trajectory cconnection : trjcat -f md_0_1.trr traj.trr -o traj_all_md.trr > > So, I have a question when I analysis trajectory use g_hbond > > g_hbond -f traj_all_md.trr -s md_0_1_next1.tpr -num bovin_hnum.xvg > > at here I use md_0_1_next1.tpr, if is it right ? I have some not sure > > Thank you! > > > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/tpr-of-extend-simulation-tp5008506.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
