On Fri, 2 May 2008 12:01:37 +0200
"maria goranovic" <[EMAIL PROTECTED]> wrote:
I used:
trjcat -o out.trr -f *trr
It looks like you have missing frames in your xtc files ... that
happens sometimes when the simulation is stopped and restarted
from the trr file whereas the buffer of the xtc file is not emptied.
Did you gmxcheck the xtc files?
On Fri, May 2, 2008 at 11:42 AM, Mark Abraham <[EMAIL PROTECTED]>
wrote:
maria goranovic wrote:
> Hi,
>
> After using gmxcheck on a merged trajectory, I get the following error
> throughout the trajectory. What does this mean ?
>
How did you merge the trajectory?
Thank you for the help.
>
>
>
> .....
> Timesteps at t=21610 don't match (8, 10)
> Reading frame 50 time 21670.002 Timesteps at t=21700 don't match
> (10, 2)
>
> Timesteps at t=21702 don't match (2, 8)
>
> Timesteps at t=21710 don't match (8, 10)
> Reading frame 60 time 21760.002 Timesteps at t=21800 don't match
> (10, 2)
> ....
>
> and so on.
>
>
> --
> Maria G.
> Technical University of Denmark
> Copenhagen
>
>
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>
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--
Maria G.
Technical University of Denmark
Copenhagen
-----------------------------------------------------
XAvier Periole - PhD
NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
-----------------------------------------------------
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