[gmx-users] checkpoint file

[Juliette N.]

Hi all,

My cpt file  doesnt contain any information?!!

 gmxcheck -f md.cpt          gives the following:

Checking file md.cpt

# Atoms  20688
Last frame         -1 time 7468.965


Item        #frames Timestep (ps)
Step             1
Time             1
Lambda           1
Coords           1
Velocities       1
Forces           0
Box              1

Is this a valid cpt file?


Thank you,

On 13 August 2012 16:36, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> On 8/13/12 4:34 PM, Juliette N. wrote:
>>
>> I am using the same line, but it crashes...Is that because my trr
>> files is big that it cand append the files? It was ~ 40 GB when crash
>> happened...
>>
>> I am using 4.5.4. I tried both with and without -append.
>>
>
> If it fails with and without the -append option, then that's clearly not the
> problem.  There would be a distinct error printed if there were a problem
> with appending to any file.
>
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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-- 
Thanks,
J. N.