Hi Tsjerk, I have written g_traj -n index.ndx -f traj.trr -s topol.tpr and it works. Thank you for your prompt reply. Best, Silvia
2013/7/2 Tsjerk Wassenaar <tsje...@gmail.com> > Hi Silvia, > > The .xtc file does not contain velocities. You'll need to use the .trr > file. > > Cheers, > > Tsjerk > > > On Tue, Jul 2, 2013 at 8:25 PM, Silvia <silviadilecc...@gmail.com> wrote: > > > Dear users and experts, > > I am new in the list and I am writing because I have a problem to get > > velocities from the trajectory file. When I use this command line g_traj > -n > > index.ndx -s topol.tpr -f traj.xtc -ov, I obtain the veloc.xvg file but > > there is no data inside. I have the same problem on the force.xvg (-of) > > file > > but not on the coord.xvg one (-ox). So there is no information about the > > velocities and the forces in the trajectory file. I enclose the output > > parameters of my *.mdp file. > > > > ; RUN CONTROL PARAMETERS > > integrator = md > > ; Start time and timestep in ps > > tinit = 0 > > dt = 0.002 > > nsteps = 2500000 > > ; For exact run continuation or redoing part of a run > > init_step = 0 > > > > ; OUTPUT CONTROL OPTIONS > > ; Output frequency for coords (x), velocities (v) and forces (f) > > nstxout = 1000 > > nstvout = 1000 > > nstfout = 1000 > > ; Output frequency for energies to log file and energy file > > nstlog = 1000 > > nstcalcenergy = -1 > > nstenergy = 1000 > > ; Output frequency and precision for .xtc file > > nstxtcout = 1000 > > xtc-precision = 1000 > > ; This selects the subset of atoms for the .xtc file. You can > > ; select multiple groups. By default all atoms will be written. > > xtc-grps = > > ; Selection of energy groups > > energygrps = > > > > Can someone help me to solve this problem? > > Thank you in advance. > > > > Silvia > > > > > > > > -- > > View this message in context: > > > http://gromacs.5086.x6.nabble.com/Cannot-get-velocities-from-the-trajectory-file-tp5009511.html > > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > > -- > > 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 > > > > > > -- > Tsjerk A. Wassenaar, Ph.D. > -- > 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
