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
