[gmx-users] trjconv t0/timestep parameter confusion
martin.hoefling at gmx.de
Mon Oct 25 16:42:43 CEST 2010
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.
The workaround for this problem:
First writing -b into a temp trajectory and then treating the tmp
trajectory with -t0 0
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