[gmx-users] trjcat finds different spacing among trajectories
Giuseppina La Sala
giuseppina.lasala2 at unibo.it
Fri May 2 17:30:58 CEST 2014
Hi GMX-Users,
I'm trying to use trjcat command to join very large trajectories:
trjcat -f md_0_1.part*.xtc -s md_0_1.tpr -o all.xtc
but I found this error while gmx was reading the frames:
Reading frame 2000 time 351750.000 -> frame 70350 time 351750.000 ps -> frame 70430 time 352150.000 ps
WARNING: Frames around t=352190.000000 ps have a different spacing than the rest,
might be a gap or overlap that couldn't be corrected automatically.
Reading frame 0 time 396625.000
lasttime 352190
Continue writing frames from md_0_1.part0015.xtc t=396625 ps, frame=70439
Reading frame 1 time 396630.000 -> frame 70440 time 396630.000 ps
I run gmxcheck and it didn't give me any warnings.
The version of Gromacs that I'm using is 4.6.3.
Does anyone know what could be the root of the problem?
Cheers
Josephine
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