[gmx-users] Problems with XTC Files

[David van der Spoel]

On Sat, 1 Dec 2001, Christoph Meier wrote:

>Dear All,
>
>I running a simulation using GROMACS 2. One of the trajectory output files
>(the XTC one) seems to be faulty:
>when I try to run programs on it (e.g. trjconv or g_rms) all of them crash at the same
>point in the simulation. 
>
>I think there is something wrong with my file.Is there a way of repairing this ?
>My simulation is still running and my trajectory files get updated usual. 
>The TRR file seems to be woring fine.
>
>I would be grateful for any kind of advice you could give me !
Kill the simulation and restart it from where the error in the xtc started
(tpbconv -s topol -f traj -o cont -time 10000000)
Fill in the right number for the time there.

Use gmxcheck to see what is the last valid frame. 

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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