[gmx-users] checkpoint file

Justin Lemkul jalemkul at vt.edu
Mon Aug 13 22:19:40 CEST 2012

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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