Hi all,
I have 162 small independent trajectories (from time 100 to time 300ps,
2ps interval) in directories named 1/ ... 162/. I want to merge them
into one big trajectory for analysis purposes:
trjcat -cat -o traj_tot.xtc -f */traj.xtc
trjcat seems to start skipping some frames after about the 100th
trajectory. It does not start reading at time 100 anymore. Total number
of frames is 15432 instead of the 162*101 = 16632 that it should be.
Output looks like below.
Concatenating the trajectories in two batches of about 80 trajectories
each and then combining the two resulting files together works.
Cheers,
Michel
===================================================================
Reading frame 0 time 100.000
Continue writing frames from 100/traj.xtc t=100 ps, frame=0
Last frame 100 time 300.000 -> frame 100 time 300.000 ps
Reading frame 0 time 100.000
lasttime 300
Continue writing frames from 101/traj.xtc t=100 ps, frame=101
Last frame 100 time 300.000 -> frame 200 time 298.000 ps
Reading frame 0 time 100.000
lasttime 300
[ ... normal output until... ]
Continue writing frames from 44/traj.xtc t=100 ps, frame=10100
Last frame 100 time 300.000 -> frame 10200 time 300.000 ps
Reading frame 0 time 100.000
lasttime 300
Continue writing frames from 45/traj.xtc t=100 ps, frame=10201
Last frame 100 time 300.000 -> frame 10300 time 298.000 ps
Reading frame 0 time 100.000
lasttime 300
Reading frame 1 time 102.000
Continue writing frames from 46/traj.xtc t=102 ps, frame=10302
Last frame 100 time 300.000 -> frame 10400 time 298.000 ps
Reading frame 0 time 100.000
lasttime 300
Reading frame 1 time 102.000
Continue writing frames from 47/traj.xtc t=102 ps, frame=10402
Last frame 100 time 300.000 -> frame 10500 time 298.000 ps
Reading frame 0 time 100.000
lasttime 300
Reading frame 2 time 104.000
Continue writing frames from 48/traj.xtc t=104 ps, frame=10502
Last frame 100 time 300.000 -> frame 10600 time 300.000 ps
Reading frame 0 time 100.000
lasttime 300
Reading frame 2 time 104.000
Continue writing frames from 49/traj.xtc t=104 ps, frame=10601
Last frame 100 time 300.000 -> frame 10690 time 282.000 ps
Reading frame 0 time 100.000
lasttime 300
Reading frame 3 time 106.000
Continue writing frames from 4/traj.xtc t=106 ps, frame=10700
Last frame 100 time 300.000 -> frame 10790 time 286.000 ps
Reading frame 0 time 100.000
lasttime 300
Reading frame 3 time 106.000
Continue writing frames from 50/traj.xtc t=106 ps, frame=10798
Last frame 100 time 300.000 -> frame 10890 time 290.000 ps
Reading frame 0 time 100.000
lasttime 300
[ ... more drifting the first frame read until ... ]
Reading frame 30 time 160.000
Continue writing frames from 99/traj.xtc t=160 ps, frame=15290
Last frame 100 time 300.000 -> frame 15360 time 300.000 ps
Reading frame 0 time 100.000
lasttime 300
Reading frame 30 time 160.000
Continue writing frames from 9/traj.xtc t=160 ps, frame=15361
Last frame 100 time 300.000 -> frame 15430 time 298.000 ps
Last frame written was 15431, time 300.000000 ps
===================================================================
==========================================================
Michel Cuendet, Ph.D
Molecular Modeling Group
Swiss Institute of Bioinformatics
CH-1015 Lausanne, Switzerland
http://ludwig-sun1.unil.ch/~mcuendet
==========================================================
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