[gmx-users] checkpoint file

[Juliette N.]

All right, but I was expecting some more information reflecting the
last state of the system, e.g, velocities...

Thank you,


On 13 August 2012 17:04, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> On 8/13/12 4:54 PM, Juliette N. wrote:
>>
>> Hi all,
>>
>> My cpt file  doesnt contain any information?!!
>>
>
> Sure it does.
>
>
>>   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?
>>
>
> All indications are that it is.
>
>
> -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.