[gmx-users] Probable error in trjcat; skipping frames

Lipi Thukral lipi.thukral at gmail.com
Tue Apr 26 22:41:57 CEST 2011

Dear gmx-users,

I intended to concantanate two trajectories with no similar time frames
i.e., both files have distinct time frames. But once I combine the files
many time frames are skipped, details are as follows:

File 1 has 2175 frames
File 2 has 1232 frames

I used the following command to concatenate:

trjcat -f File1.xtc File2.xtc -o CombinedFile3.xtc

Now I obtained in total 1266 frames instead of 3407 frames as expected. When
I compared the CombinedFile3 with both File 1 and File 2, I found that it
has somehow taken the first  34 frames from File 1 and rest of the frames
belongs to File 2 i.e., the last file.

I am unable to understand why trjcat skips the frames inspite of no
similarity. I am using 4.5-beta version of Gromacs. I am also open to
sharing the files, should that be needed.

Any possible explanation as to why I am obtaining the combined trajectory
with skipping frames, would be really helpful.

Many Thanks,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110426/900a2c1e/attachment.html>

More information about the gromacs.org_gmx-users mailing list