unanswered How can I accelerate MD simulation with Martini force field?

  • Jinyoung
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2 years 9 months ago #9107 by Jinyoung
I would like to ask about how to accelerate MD simulation with Martini force field and GROMACS.
I've run my simulation modeled by the MARTINI force field. But as in the attached figure, the usage of GPU was very low..! (Usually, the usage of GPU is higher than 200 W when I ran MD simulation with AMBER force field)
below is my command line that I used for the Martini simulation
gmx_mpi mdrun -v -deffnm ${istep}/md_umbrella_${i} -nb gpu -bonded gpu -ntomp 20

How can I get the Martini simulation more faster?
Best regards :)

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