[gmx-users] checkpoint file

[Justin Lemkul]

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

-- 
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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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