[gmx-users] continue simulation from intermediate frame instead of last frame

[Justin Lemkul]

On 10/4/17 9:06 AM, tarak karmakar wrote:
> Hi Justin,
> Thanks for the quick reply.
> 
> Is there any way to check if the frame is there in .cpt file or not?
> 
> I did the following exercise at difference 'time=' values,
> gmx_mpi_d convert-tpr -s topol.tpr -f state_prev.cpt -e ener.edr -time
> 40000 -o topol.tpr
> 
> It seems in all the cases, the trajectory gets restarted from the last
> frame.
> 

The .cpt files are always overwritten unless you tell mdrun to keep them. You 
can inspect the contents of any given .cpt file with gmx check.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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jalemkul at vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

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