Hi Shan, I am not quite sure if you want to generate an REMD simulation mobility in temperature space for the 30 replicas. If that be the case, then you can use the data in the replica_temperature.xvg file to plot replica index vs REMD steps. The 1st column in the file corresponds to the REMD steps and 2nd to 31st correspond to the mobility of replicas 0 to 29.
Hope this helps? cheers Joel On Wed, 9 Jan 2019 at 13:23, Shan Jayasinghe <shanjayasinghe2...@gmail.com> wrote: > Dear Gromacs users, > > How do we plot a graph for temperature vs swap step number using a REMD > simulation with 30 systems. I already generated the replica_temp.xvg and > replica_index.xvg files using demux.pl script. > > Thank you. > > Best Regards > Shan Jayasinghe > -- > 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. > -- Joel Baffour Awuah PhD Candidate *Institute for Frontier Materials* *Deakin University* *Waurn Ponds, 3126 VIC* *Australia +61450070635* -- 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.
