[gmx-users] trjconv t0/timestep parameter confusion

Martin Hoefling mhoefli at gwdg.de
Mon Oct 25 15:12:19 CEST 2010

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



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
Phone: +49 551 201 2314
Fax: +49 551 201 2302
Mail: mhoefli at gwdg.de

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