[gmx-users] gmxcheck and trjconv

[David van der Spoel]

andrea spitaleri wrote:
> Hi all,
> silly question. I have checked a trr with gmxcheck and I get this output below:
> Item        #frames Timestep (ps)
> Step            70    1
> Time            70    1
> Lambda          70    1
> Coords          70    1
> Velocities      24    3
> Forces           0
> Box             70    1
> 
> however if then i use trjconv to dump a configuration file at 70 ps it says:
> WARNING no output, trajectory ended at 69
> 
> Is it normal? I don't mind to extract a configuration file at 69 ps, however i was wondering if this
> behaviour is normal or whether it is bug.
> 
> thanks in advance
> 
> Regards
> 
> andrea
is the simulation still running? then file buffering may play in. alt. 
if you kill -9 then the buffers will not be flushed.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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