Maybe these parameters do not work in concert. Try a two-pass version - first discard the first 10000, then later relabel the times.
Mark ----- Original Message ----- From: Martin Hoefling <mhoe...@gwdg.de> Date: Tuesday, October 26, 2010 0:29 Subject: [gmx-users] trjconv t0/timestep parameter confusion To: gmx-users@gromacs.org > Hey Folks, > > I am having trouble with the t0 parameter in conjunction with - > b. What I am trying to obtain is the following: Trajectory > starts at 0 ends at 110000. From this trajectory, I wanna write > out frames from 10000 to 110000 (so discard the first 10000) and > set starting time to 0 so that I get a trajectory from 0 to 100000. > > What I tried is the following: trjconv -f in.xtc -b 10000 -t0 0 - > o out.xtc > > This leads to a never ending trjconv process writing out a > trajectory with frames and a deltat of 0. > > Did I misunderstood the parameters somehow? Tested with 4.0.7 > and 4.5, time units are ps and trajectories have 1ps sampling. > > Best wishes > > Martin > > BTW: > > The workaround for this problem: > > First writing -b into a temp trajectory and then treating the > tmp trajectory with -t0 0 > > -- > Martin Hoefling > Max Planck Institute for Biophysical Chemistry > Theoretical & Computational Biophysics > Am Fassberg 11 > 37077 Goettingen > Germany > Phone: +49 551 201 2314 > Fax: +49 551 201 2302 > Mail: mhoe...@gwdg.de > -- > 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 thewww > interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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