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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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