Hi, On Thu, Jun 11, 2015 at 9:00 AM ashish bihani <ashish.bih...@outlook.com> wrote:
> > > > I extracted [was instructed to extract] trajectory frames at every 10 ps > from a 10ns xtc file and energy minimized each of them. How do I cluster > them? > I tried to do "ls *.gro | gmx cluster -f {.}.gro ", did not work. > Unfortunately, the description "did not work" doesn't let us help you fix it. > I concatenated the frames and made an xtc file and tried to cluster it in > MSMbuilder which did not work. Clustering it in gmx cluster would require a > tpr file which is not there for this trajectory. What do I do? > Since you later need a .tpr file for the EM, there's no additional problem. If you don't have access to (making) the original .tpr that made the simulation, how can anybody reproduce this work? Mark > -- > 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.