On Mon, Jan 30, 2012 at 5:43 PM, Steven Neumann <s.neuman...@gmail.com> wrote: > Dear Gmx Users, > > I run the simulation of protein with 10 ligands (200 ns). In total I should > have total of 4000 frames as I set up: > > nsteps = 100000000 > > dt = 0.002 > > nstxout = 25000 > > I used trjconv -f md.trr -o mdnojump.xtc -pbc nojump
-dt 4000 now you will only have 51 frames. more info. check trjconv -h > > The trajectory which I read in VMD has 3008 frames and my ligands completely > disappear after 8 frame (They are not in PBC windows which I checked in > Graphics -> Graphical Representation -> Periodic) > > Can you please advise? I think I have to many frames in my trajectory, how > can I reduce it in trjconv? > > Thank you, > > > > Steven > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
