Hello Guys, Kindly suggest me something about my doubt.
On Thu, May 3, 2018 at 5:19 PM, Sundari <sundi6...@gmail.com> wrote: > 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. >> > > -- 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.