andrea spitaleri wrote:
Hi,
however in md0.log the right time is reported (69 and not 70)
and
David van der Spoel wrote:
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.
buffering is separate per file. in trr you have only half a frame.
--
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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