Lipi Thukral wrote:
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
What does gmxcheck tell you about each of these files?
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.
There have been numerous beta versions over the last few years, none of which
should necessarily be considered stable. Which beta are you using exactly?
-Justin
Any possible explanation as to why I am obtaining the combined
trajectory with skipping frames, would be really helpful.
Many Thanks,
Lipi
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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