Hey Andrea,
Also note that you have 70 FRAMES with 1 ps time step. That means,
with the first frame at t=0, that you have a maximum time of (70-1)*1
ps = 69 ps in the output.
Ciao!
Tsjerk
On 3/7/07, David van der Spoel <[EMAIL PROTECTED]> wrote:
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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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
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