[gmx-users] trjcat error
tsjerkw at gmail.com
Tue Nov 25 09:59:43 CET 2008
Hi QIU YI HUAN,
Was it a warning or did it exit without producing output? Please be
more complete in your postings. Maybe a good idea to include the
output of the program?
In case of an error use gmxcheck first on each of the trajectories. It
seems that one of them is giving an error. Then, if you know which
trajectory is wrong, you can use trjconv to read up to the bad frame,
and write a good trajectory. Obviously, you'll miss what comes after
the bad frame.
On 11/25/08, Q. Y. HUAN <scottiehuan at yahoo.com> wrote:
> Dear all ,
> I did a simulation for 2 ns then i extanded the simulation using tpbconv for another 2 ns. After that, I tried to combine the two trajectory files by using trjcat by using the following command:
> trjcat -f md1.xtc extend1.xtc -o combine.xtc
> but it showed a warning that it couldn't read the frame from file.
> This is the 1st time i use trjcat, so i am wonder whether the command is correct or have some problems with the files.
> QIU YI HUAN
> DEPARTMENT OF CHEMISTRY,
> FACULTY OF SCIENCE,
> UNIVERSITY PUTRA MALAYSIA,
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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