On 10/23/12 12:37 AM, Shima Arasteh wrote:
I have 3 .cpt files in my directory: md.cpt , state.cpt and state_prev.cpt .
What does each one mean?
Use gmxcheck to determine the times present in each.
I guess I need to use the last cpt in my command # mpirun -np 32 mdrun_mpi -s
md.tpr -o md.trr -c md.gro -e md.edr -g md.log -cpi md.cpt -v
And the md.cpt is not the correct .cpt file in my command.
Better to be certain than to guess - gmxcheck is the answer.
-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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