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
--
========================================
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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