[gmx-users] checkpoint file

[Justin Lemkul]

On 8/13/12 4:16 PM, Juliette N. wrote:
> Sorry Justin, but I dont see whats happening...
> Do I have to remove mpi or -np from the line while using -cpi *.cpt  ?
>

No, you don't. All you should need (provided the .cpt file is valid, which it 
appears to be from the gmxcheck output from before) is:

mpirun -np 8 mdrun_mpi -deffnm md -cpi -append

-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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