Hi, What did you learn from the first sentence of the link I gave you?
Mark On Thu, Jun 1, 2017 at 3:20 PM YanhuaOuyang <15901283...@163.com> wrote: > Do you mean that the original trajectories REMD generated are belong to > "one trajectory per temperature" (i.e. the md2.xtc is a trajectory at 298K)? > > > > Ouyang > > > > > At 2017-06-01 21:00:52, "Mark Abraham" <mark.j.abra...@gmail.com> wrote: > >Hi, > > > >That's what you already have. See > >http://www.gromacs.org/Documentation/How-tos/REMD#Post-Processing > > > >Mark > > > >On Thu, Jun 1, 2017 at 5:37 AM YanhuaOuyang <15901283...@163.com> wrote: > > > >> Hi, > >> I have run a 100ns-REMD of protein, which has 20 replicas (i.e. > >> remd1.xtc, remd2.xtc, ..., remd20.xtc). I want to analyze a trajectory > at > >> specific temperature such as a trajectory at experiment temperature > 298K > >> rather than analyzing the continuous trajectory. I have known GROMACS > >> exchange coordinate when REMD running. Do I just analyze remd2.xtc of > >> replica 2(T=298K) if I want to analyze a trajectory at 298K? Do I need > to > >> do something else on the trajectories to get a trajectory at specific > >> temperature(i.e. 298K)? > >> > >> 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. > -- > 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.