[gmx-users] Magic number error
tsjerkw at gmail.com
Sat Jun 28 16:27:43 CEST 2008
You could try another version as was suggested... Never hurts to try.
The magic number error occurs if the file is screwed. trjconv will
correctly process the trajectory up to the point where the magic
number error occurs, so you can restart from the last good entry in
the file. Out of luck when the whole trajectory is bad. However, you
didn't say what you did with the .tpr files for the separate runs, and
with the individual trajectory (.xtc) files. If you still have these
you can restart from there.
On Fri, Jun 27, 2008 at 3:54 PM, minnale <minnale_gnos at rediffmail.com> wrote:
> Hi Users,
> I have run the protein simulation for 9ns, with 1ns each time by using
> tpbconv *command, after converting all9ns .trr files to .xtc i have deleted
> all .trr files. Later I have catenated all the 9ns simulation files by using
> trjcat command. Now I want restart my simulation, so
> when I used trjconv command for getting 9th ns .trr file its showing
> following error
> The command i have given
> trjconv -f 9ns_all.xtc -s 9ns_prot.tpr -o 9ns_tpbout.trr -b 8000 -e 9000
> Program trjconv, VERSION 3.3.1
> Source code file: xtcio.c, line: 83
> Fatal error:
> Magic Number Error in XTC file (read -1727167416, should be 1995)
> I have searched in list archives one person
> change version to 3.2, iam using 3.3.1
> The way iam doing is doing wrong?
> Could you give me any suggestion
> Thanks alot in advance
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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