Hi Joel, Thank you very much.
On Wed, Jan 9, 2019 at 3:27 PM Joel Awuah <bjaw...@gmail.com> wrote: > 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. > -- 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.