Hello, I got the continuous trajectories by using demux. But now I am confused in getting potential energy distribution of a single replica (similarly time evolution of a replica (say replica_1) in temperature space). I used edr file of original production data files, but I am not getting what I want. I am attaching the temp.xvg file of one replica (say T= 315K replica)
Thank You.. On Thu, May 3, 2018 at 5:02 PM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi, > > It sounds like you just want to use the original data, which you had before > you ran the demux script. > > Mark > > On Thu, May 3, 2018 at 1:28 PM Sundari <sundi6...@gmail.com> wrote: > > > Dear gromacs users, > > > > can anyone please suggest me that how we get the time evolution of a > > replica (say replica_1) in temperature space and time courses of > potential > > energy of each replica( one way is md.edr file??) > > As according to GROMACS tutorial, I used demux.pl script and got two > files > > replica_index.xvg and replica_temp.xvg. But I want to analyse a single > > replica trajectory in all temperatures ( temp. on y-axis) > > > > > > Thank you in advance.. > > > > Sundari > > -- > > 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. >
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